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)sulfanyl-5-propan-2-ylpyridine-2-carbothioamide;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-trimethylsilyl-4-pyridinyl)oxy]pyrimidin-4-amine

C90H116N28O5S2Si — CID 167678055

IUPAC4-(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)sulfanyl-5-propan-2-ylpyridine-2-carbothioamide;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-trimethylsilyl-4-pyridinyl)oxy]pyrimidin-4-amine
SMILESCC#Cc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CCc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Oc2cc(C(N)=O)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc([Si](C)(C)C)ncc2C(C)C)c(N)n1.Cc1ncc(Sc2cc(C(N)=S)ncc2C(C)C)c(N)n1.[H]/N=C(\N)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1
InChIInChI=1S/C16H24N4OSi.C16H18N4O.C16H22N4.C14H18N6O.C14H17N5O2.C14H17N5S2/c1-10(2)12-8-19-15(22(4,5)6)7-13(12)21-14-9-18-11(3)20-16(14)17;1-5-6-12-7-14(13(8-19-12)10(2)3)21-15-9-18-11(4)20-16(15)17;1-5-14-7-12(15(9-19-14)10(2)3)6-13-8-18-11(4)20-16(13)17;1-7(2)9-5-19-10(13(15)16)4-11(9)21-12-6-18-8(3)20-14(12)17;2*1-7(2)9-5-18-10(14(16)20)4-11(9)21-12-6-17-8(3)19-13(12)15/h7-10H,1-6H3,(H2,17,18,20);7-10H,1-4H3,(H2,17,18,20);7-10H,5-6H2,1-4H3,(H2,17,18,20);4-7H,1-3H3,(H3,15,16)(H2,17,18,20);2*4-7H,1-3H3,(H2,16,20)(H2,15,17,19)
InChIKeyVCMAFUQBYIHUKL-UHFFFAOYSA-N
MW1762.33 g/mol
LogP15.72
Rot. Bonds23

About 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)sulfanyl-5-propan-2-ylpyridine-2-carbothioamide;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-trimethylsilyl-4-pyridinyl)oxy]pyrimidin-4-amine

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)sulfanyl-5-propan-2-ylpyridine-2-carbothioamide;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-trimethylsilyl-4-pyridinyl)oxy]pyrimidin-4-amine (PubChem CID 167678055) has the molecular formula C90H116N28O5S2Si and a molecular weight of 1762.33 g/mol. Its IUPAC name is 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)sulfanyl-5-propan-2-ylpyridine-2-carbothioamide;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-trimethylsilyl-4-pyridinyl)oxy]pyrimidin-4-amine.

Molecular Properties

Compound Name4-(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)sulfanyl-5-propan-2-ylpyridine-2-carbothioamide;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-trimethylsilyl-4-pyridinyl)oxy]pyrimidin-4-amine
PubChem CID167678055
Molecular FormulaC90H116N28O5S2Si
Molecular Weight1762.33 g/mol
Exact Mass1760.89
IUPAC Name4-(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)sulfanyl-5-propan-2-ylpyridine-2-carbothioamide;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-trimethylsilyl-4-pyridinyl)oxy]pyrimidin-4-amine
SMILESCC#Cc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CCc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Oc2cc(C(N)=O)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc([Si](C)(C)C)ncc2C(C)C)c(N)n1.Cc1ncc(Sc2cc(C(N)=S)ncc2C(C)C)c(N)n1.[H]/N=C(\N)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1
InChIInChI=1S/C16H24N4OSi.C16H18N4O.C16H22N4.C14H18N6O.C14H17N5O2.C14H17N5S2/c1-10(2)12-8-19-15(22(4,5)6)7-13(12)21-14-9-18-11(3)20-16(14)17;1-5-6-12-7-14(13(8-19-12)10(2)3)21-15-9-18-11(4)20-16(15)17;1-5-14-7-12(15(9-19-14)10(2)3)6-13-8-18-11(4)20-16(13)17;1-7(2)9-5-19-10(13(15)16)4-11(9)21-12-6-18-8(3)20-14(12)17;2*1-7(2)9-5-18-10(14(16)20)4-11(9)21-12-6-17-8(3)19-13(12)15/h7-10H,1-6H3,(H2,17,18,20);7-10H,1-4H3,(H2,17,18,20);7-10H,5-6H2,1-4H3,(H2,17,18,20);4-7H,1-3H3,(H3,15,16)(H2,17,18,20);2*4-7H,1-3H3,(H2,16,20)(H2,15,17,19)
InChIKeyVCMAFUQBYIHUKL-UHFFFAOYSA-N
XLogP15.72
TPSA544.04 Ų
H-Bond Donors10
H-Bond Acceptors32
Rotatable Bonds23
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001762.33
LogP ≤ 515.72
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 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)sulfanyl-5-propan-2-ylpyridine-2-carbothioamide;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-trimethylsilyl-4-pyridinyl)oxy]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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)sulfanyl-5-propan-2-ylpyridine-2-carbothioamide;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-trimethylsilyl-4-pyridinyl)oxy]pyrimidin-4-amine?
The IUPAC name of 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)sulfanyl-5-propan-2-ylpyridine-2-carbothioamide;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-trimethylsilyl-4-pyridinyl)oxy]pyrimidin-4-amine (CID 167678055) is 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)sulfanyl-5-propan-2-ylpyridine-2-carbothioamide;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-trimethylsilyl-4-pyridinyl)oxy]pyrimidin-4-amine.
What is the SMILES notation for 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)sulfanyl-5-propan-2-ylpyridine-2-carbothioamide;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-trimethylsilyl-4-pyridinyl)oxy]pyrimidin-4-amine?
The canonical SMILES for 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)sulfanyl-5-propan-2-ylpyridine-2-carbothioamide;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-trimethylsilyl-4-pyridinyl)oxy]pyrimidin-4-amine is CC#Cc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CCc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Oc2cc(C(N)=O)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc([Si](C)(C)C)ncc2C(C)C)c(N)n1.Cc1ncc(Sc2cc(C(N)=S)ncc2C(C)C)c(N)n1.[H]/N=C(\N)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.
What is the InChIKey of 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)sulfanyl-5-propan-2-ylpyridine-2-carbothioamide;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-trimethylsilyl-4-pyridinyl)oxy]pyrimidin-4-amine?
The InChIKey is VCMAFUQBYIHUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OSi.C16H18N4O.C16H22N4.C14H18N6O.C14H17N5O2.C14H17N5S2/c1-10(2)12-8-19-15(22(4,5)6)7-13(12)21-14-9-18-11(3)20-16(14)17;1-5-6-12-7-14(13(8-19-12)10(2)3)21-15-9-18-11(4)20-16(15)17;1-5-14-7-12(15(9-19-14)10(2)3)6-13-8-18-11(4)20-16(13)17;1-7(2)9-5-19-10(13(15)16)4-11(9)21-12-6-18-8(3)20-14(12)17;2*1-7(2)9-5-18-10(14(16)20)4-11(9)21-12-6-17-8(3)19-13(12)15/h7-10H,1-6H3,(H2,17,18,20);7-10H,1-4H3,(H2,17,18,20);7-10H,5-6H2,1-4H3,(H2,17,18,20);4-7H,1-3H3,(H3,15,16)(H2,17,18,20);2*4-7H,1-3H3,(H2,16,20)(H2,15,17,19).
What are the key properties of 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)sulfanyl-5-propan-2-ylpyridine-2-carbothioamide;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-trimethylsilyl-4-pyridinyl)oxy]pyrimidin-4-amine?
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)sulfanyl-5-propan-2-ylpyridine-2-carbothioamide;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-trimethylsilyl-4-pyridinyl)oxy]pyrimidin-4-amine has a molecular weight of 1762.33 g/mol, XLogP of 15.72, 23 rotatable bonds, 10 hydrogen bond donors, and 32 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-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboximidamide;4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-carbothioamide;5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-trimethylsilyl-4-pyridinyl)oxy]pyrimidin-4-amine is sourced from PubChem (CID 167678055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).