4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;N-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]prop-2-enamide;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine

C89H108BrN25O9S3 — CID 167699593

IUPAC4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;N-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]prop-2-enamide;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine
SMILESC=CC(=O)Nc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CCSc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.CCc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.COc1cc(Oc2cnc(C)nc2N)c(Br)cn1.Cc1ncc(Oc2cc(C#CC(C)(C)O)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C(=O)O)ncc2C(C)C)c(N)n1
InChIInChI=1S/C18H22N4O2.C16H19N5O2.C15H20N4S2.C15H20N4S.C14H16N4O3.C11H11BrN4O2/c1-11(2)14-9-21-13(6-7-18(4,5)23)8-15(14)24-16-10-20-12(3)22-17(16)19;1-5-15(22)21-14-6-12(11(7-19-14)9(2)3)23-13-8-18-10(4)20-16(13)17;1-5-20-14-6-12(11(7-18-14)9(2)3)21-13-8-17-10(4)19-15(13)16;1-5-11-6-13(12(7-18-11)9(2)3)20-14-8-17-10(4)19-15(14)16;1-7(2)9-5-17-10(14(19)20)4-11(9)21-12-6-16-8(3)18-13(12)15;1-6-14-5-9(11(13)16-6)18-8-3-10(17-2)15-4-7(8)12/h8-11,23H,1-5H3,(H2,19,20,22);5-9H,1H2,2-4H3,(H2,17,18,20)(H,19,21,22);6-9H,5H2,1-4H3,(H2,16,17,19);6-9H,5H2,1-4H3,(H2,16,17,19);4-7H,1-3H3,(H,19,20)(H2,15,16,18);3-5H,1-2H3,(H2,13,14,16)
InChIKeyYEDJQSRJNVVHFT-UHFFFAOYSA-N
MW1848.11 g/mol
LogP18.05
Rot. Bonds24

About 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;N-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]prop-2-enamide;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine

4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;N-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]prop-2-enamide;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine (PubChem CID 167699593) has the molecular formula C89H108BrN25O9S3 and a molecular weight of 1848.11 g/mol. Its IUPAC name is 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;N-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]prop-2-enamide;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;N-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]prop-2-enamide;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine
PubChem CID167699593
Molecular FormulaC89H108BrN25O9S3
Molecular Weight1848.11 g/mol
Exact Mass1845.71
IUPAC Name4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;N-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]prop-2-enamide;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine
SMILESC=CC(=O)Nc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CCSc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.CCc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.COc1cc(Oc2cnc(C)nc2N)c(Br)cn1.Cc1ncc(Oc2cc(C#CC(C)(C)O)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C(=O)O)ncc2C(C)C)c(N)n1
InChIInChI=1S/C18H22N4O2.C16H19N5O2.C15H20N4S2.C15H20N4S.C14H16N4O3.C11H11BrN4O2/c1-11(2)14-9-21-13(6-7-18(4,5)23)8-15(14)24-16-10-20-12(3)22-17(16)19;1-5-15(22)21-14-6-12(11(7-19-14)9(2)3)23-13-8-18-10(4)20-16(13)17;1-5-20-14-6-12(11(7-18-14)9(2)3)21-13-8-17-10(4)19-15(13)16;1-5-11-6-13(12(7-18-11)9(2)3)20-14-8-17-10(4)19-15(14)16;1-7(2)9-5-17-10(14(19)20)4-11(9)21-12-6-16-8(3)18-13(12)15;1-6-14-5-9(11(13)16-6)18-8-3-10(17-2)15-4-7(8)12/h8-11,23H,1-5H3,(H2,19,20,22);5-9H,1H2,2-4H3,(H2,17,18,20)(H,19,21,22);6-9H,5H2,1-4H3,(H2,16,17,19);6-9H,5H2,1-4H3,(H2,16,17,19);4-7H,1-3H3,(H,19,20)(H2,15,16,18);3-5H,1-2H3,(H2,13,14,16)
InChIKeyYEDJQSRJNVVHFT-UHFFFAOYSA-N
XLogP18.05
TPSA520.92 Ų
H-Bond Donors9
H-Bond Acceptors35
Rotatable Bonds24
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001848.11
LogP ≤ 518.05
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;N-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]prop-2-enamide;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;N-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]prop-2-enamide;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;N-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]prop-2-enamide;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine (CID 167699593) is 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;N-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]prop-2-enamide;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;N-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]prop-2-enamide;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;N-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]prop-2-enamide;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine is C=CC(=O)Nc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CCSc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.CCc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.COc1cc(Oc2cnc(C)nc2N)c(Br)cn1.Cc1ncc(Oc2cc(C#CC(C)(C)O)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C(=O)O)ncc2C(C)C)c(N)n1.
What is the InChIKey of 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;N-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]prop-2-enamide;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine?
The InChIKey is YEDJQSRJNVVHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2.C16H19N5O2.C15H20N4S2.C15H20N4S.C14H16N4O3.C11H11BrN4O2/c1-11(2)14-9-21-13(6-7-18(4,5)23)8-15(14)24-16-10-20-12(3)22-17(16)19;1-5-15(22)21-14-6-12(11(7-19-14)9(2)3)23-13-8-18-10(4)20-16(13)17;1-5-20-14-6-12(11(7-18-14)9(2)3)21-13-8-17-10(4)19-15(13)16;1-5-11-6-13(12(7-18-11)9(2)3)20-14-8-17-10(4)19-15(14)16;1-7(2)9-5-17-10(14(19)20)4-11(9)21-12-6-16-8(3)18-13(12)15;1-6-14-5-9(11(13)16-6)18-8-3-10(17-2)15-4-7(8)12/h8-11,23H,1-5H3,(H2,19,20,22);5-9H,1H2,2-4H3,(H2,17,18,20)(H,19,21,22);6-9H,5H2,1-4H3,(H2,16,17,19);6-9H,5H2,1-4H3,(H2,16,17,19);4-7H,1-3H3,(H,19,20)(H2,15,16,18);3-5H,1-2H3,(H2,13,14,16).
What are the key properties of 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;N-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]prop-2-enamide;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine?
4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;N-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]prop-2-enamide;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine has a molecular weight of 1848.11 g/mol, XLogP of 18.05, 24 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;N-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]prop-2-enamide;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 167699593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).