2-amino-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide

C14H18N6O2 — CID 137214508

IUPAC2-amino-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1nc(CNC(=O)c2cc(C(C)C)nc(N)n2)cc(=O)[nH]1
InChIInChI=1S/C14H18N6O2/c1-7(2)10-5-11(20-14(15)19-10)13(22)16-6-9-4-12(21)18-8(3)17-9/h4-5,7H,6H2,1-3H3,(H,16,22)(H2,15,19,20)(H,17,18,21)
InChIKeyRYRPBBMVSTWTES-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.50
Rot. Bonds4

About 2-amino-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide

2-amino-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 137214508) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-amino-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide
PubChem CID137214508
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name2-amino-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1nc(CNC(=O)c2cc(C(C)C)nc(N)n2)cc(=O)[nH]1
InChIInChI=1S/C14H18N6O2/c1-7(2)10-5-11(20-14(15)19-10)13(22)16-6-9-4-12(21)18-8(3)17-9/h4-5,7H,6H2,1-3H3,(H,16,22)(H2,15,19,20)(H,17,18,21)
InChIKeyRYRPBBMVSTWTES-UHFFFAOYSA-N
XLogP0.50
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[(2,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 131895381
4-(2-hydroxyethylsulfanyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide
CID 136662518
2-amino-6-propan-2-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-4-carboxamide
CID 163310649
2-amino-N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 99992429
2-amino-6-propan-2-yl-N-(3-pyridin-4-ylpropyl)pyrimidine-4-carboxamide
CID 77092872
4-(3-methoxyphenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide
CID 136662461
2-[5-[(1S)-1-amino-2-methylpropyl]-3-methyl-1,2,4-triazol-1-yl]-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]acetamide;dihydrochloride
CID 154921618
3-(1,3-dihydroisoindol-2-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide
CID 137288333
4-ethyl-2-methyl-1H-pyrimidin-6-one;propane
CID 171619241
2-amino-N-[(4,6-dimethyl-2-pyridinyl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide
CID 44520978
2-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 131925868
2-amino-6-propan-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-4-carboxamide
CID 91789629

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide (CID 137214508) is 2-amino-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide is Cc1nc(CNC(=O)c2cc(C(C)C)nc(N)n2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is RYRPBBMVSTWTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-7(2)10-5-11(20-14(15)19-10)13(22)16-6-9-4-12(21)18-8(3)17-9/h4-5,7H,6H2,1-3H3,(H,16,22)(H2,15,19,20)(H,17,18,21).
What are the key properties of 2-amino-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide?
2-amino-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 302.34 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 137214508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).