1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;ethyl 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine

C82H98N20O9S — CID 165059418

IUPAC1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;ethyl 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine
SMILESC=C(C)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.C=Cc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CC(=O)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CCOC(=O)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Oc2cc(S(=O)Cc3ccccc3)ncc2C(C)C)c(N)n1
InChIInChI=1S/C20H22N4O2S.C16H20N4O3.C16H20N4O.C15H18N4O2.C15H18N4O/c1-13(2)16-10-23-19(27(25)12-15-7-5-4-6-8-15)9-17(16)26-18-11-22-14(3)24-20(18)21;1-5-22-16(21)12-6-13(11(7-19-12)9(2)3)23-14-8-18-10(4)20-15(14)17;1-9(2)12-7-19-13(10(3)4)6-14(12)21-15-8-18-11(5)20-16(15)17;1-8(2)11-6-18-12(9(3)20)5-13(11)21-14-7-17-10(4)19-15(14)16;1-5-11-6-13(12(7-18-11)9(2)3)20-14-8-17-10(4)19-15(14)16/h4-11,13H,12H2,1-3H3,(H2,21,22,24);6-9H,5H2,1-4H3,(H2,17,18,20);6-9H,3H2,1-2,4-5H3,(H2,17,18,20);5-8H,1-4H3,(H2,16,17,19);5-9H,1H2,2-4H3,(H2,16,17,19)
InChIKeyQYNUYTQJTTWDIB-UHFFFAOYSA-N
MW1539.88 g/mol
LogP16.75
Rot. Bonds23

About 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;ethyl 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine

1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;ethyl 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine (PubChem CID 165059418) has the molecular formula C82H98N20O9S and a molecular weight of 1539.88 g/mol. Its IUPAC name is 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;ethyl 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine.

Molecular Properties

Compound Name1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;ethyl 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine
PubChem CID165059418
Molecular FormulaC82H98N20O9S
Molecular Weight1539.88 g/mol
Exact Mass1538.75
IUPAC Name1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;ethyl 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine
SMILESC=C(C)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.C=Cc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CC(=O)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CCOC(=O)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Oc2cc(S(=O)Cc3ccccc3)ncc2C(C)C)c(N)n1
InChIInChI=1S/C20H22N4O2S.C16H20N4O3.C16H20N4O.C15H18N4O2.C15H18N4O/c1-13(2)16-10-23-19(27(25)12-15-7-5-4-6-8-15)9-17(16)26-18-11-22-14(3)24-20(18)21;1-5-22-16(21)12-6-13(11(7-19-12)9(2)3)23-14-8-18-10(4)20-15(14)17;1-9(2)12-7-19-13(10(3)4)6-14(12)21-15-8-18-11(5)20-16(15)17;1-8(2)11-6-18-12(9(3)20)5-13(11)21-14-7-17-10(4)19-15(14)16;1-5-11-6-13(12(7-18-11)9(2)3)20-14-8-17-10(4)19-15(14)16/h4-11,13H,12H2,1-3H3,(H2,21,22,24);6-9H,5H2,1-4H3,(H2,17,18,20);6-9H,3H2,1-2,4-5H3,(H2,17,18,20);5-8H,1-4H3,(H2,16,17,19);5-9H,1H2,2-4H3,(H2,16,17,19)
InChIKeyQYNUYTQJTTWDIB-UHFFFAOYSA-N
XLogP16.75
TPSA430.04 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds23
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001539.88
LogP ≤ 516.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Analyze 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;ethyl 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-(2-Methoxyphenoxy)-2-morpholin-4-yl-6-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-4-yl]oxybut-2-ynyl pyridine-2-carboxylate
CID 155519384
2-Cycloheptyl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-cyclohexyl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 158534300
[2-(2-Aminopyrimidin-5-yl)-6-piperidin-1-yl-4-pyridinyl]-phenylmethanone;4-[2-(benzenesulfonyl)-6-(2-methylpyrimidin-5-yl)-4-pyridinyl]morpholine;4-[6-(benzenesulfonyl)-4-(2-methylpyrimidin-5-yl)-2-pyridinyl]morpholine;5-[4-[difluoro(phenyl)methyl]-6-piperidin-1-yl-2-pyridinyl]pyrimidin-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)pyrimidin-2-amine
CID 167667517
Phenacyl 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxylate
CID 54178359
2-Cycloheptyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-(4-pyridin-3-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
CID 123368623
2-Cyclohexyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 123431795
2-Cyclohexyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-ethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 123722688
2-(4-Ethynyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 123953287
2-(5-Fluoro-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 157433756
1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2S)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1lambda5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine
CID 157440663
2-Cycloheptyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-cyclohexyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-ethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 158317180
4-(4-Amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboximidamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-carbothioamide
CID 158623561

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;ethyl 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine?
The IUPAC name of 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;ethyl 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine (CID 165059418) is 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;ethyl 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine.
What is the SMILES notation for 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;ethyl 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine?
The canonical SMILES for 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;ethyl 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine is C=C(C)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.C=Cc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CC(=O)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CCOC(=O)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Oc2cc(S(=O)Cc3ccccc3)ncc2C(C)C)c(N)n1.
What is the InChIKey of 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;ethyl 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine?
The InChIKey is QYNUYTQJTTWDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S.C16H20N4O3.C16H20N4O.C15H18N4O2.C15H18N4O/c1-13(2)16-10-23-19(27(25)12-15-7-5-4-6-8-15)9-17(16)26-18-11-22-14(3)24-20(18)21;1-5-22-16(21)12-6-13(11(7-19-12)9(2)3)23-14-8-18-10(4)20-15(14)17;1-9(2)12-7-19-13(10(3)4)6-14(12)21-15-8-18-11(5)20-16(15)17;1-8(2)11-6-18-12(9(3)20)5-13(11)21-14-7-17-10(4)19-15(14)16;1-5-11-6-13(12(7-18-11)9(2)3)20-14-8-17-10(4)19-15(14)16/h4-11,13H,12H2,1-3H3,(H2,21,22,24);6-9H,5H2,1-4H3,(H2,17,18,20);6-9H,3H2,1-2,4-5H3,(H2,17,18,20);5-8H,1-4H3,(H2,16,17,19);5-9H,1H2,2-4H3,(H2,16,17,19).
What are the key properties of 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;ethyl 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine?
1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;ethyl 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine has a molecular weight of 1539.88 g/mol, XLogP of 16.75, 23 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;ethyl 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine is sourced from PubChem (CID 165059418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).