4-amino-N-propan-2-ylpyrimidine-2-carboxamide

C8H12N4O — CID 117213055

IUPAC4-amino-N-propan-2-ylpyrimidine-2-carboxamide
SMILESCC(C)NC(=O)c1nccc(N)n1
InChIInChI=1S/C8H12N4O/c1-5(2)11-8(13)7-10-4-3-6(9)12-7/h3-5H,1-2H3,(H,11,13)(H2,9,10,12)
InChIKeyXCQSSAUMSZOTJT-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.20
Rot. Bonds2

About 4-amino-N-propan-2-ylpyrimidine-2-carboxamide

4-amino-N-propan-2-ylpyrimidine-2-carboxamide (PubChem CID 117213055) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-amino-N-propan-2-ylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-propan-2-ylpyrimidine-2-carboxamide
PubChem CID117213055
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name4-amino-N-propan-2-ylpyrimidine-2-carboxamide
SMILESCC(C)NC(=O)c1nccc(N)n1
InChIInChI=1S/C8H12N4O/c1-5(2)11-8(13)7-10-4-3-6(9)12-7/h3-5H,1-2H3,(H,11,13)(H2,9,10,12)
InChIKeyXCQSSAUMSZOTJT-UHFFFAOYSA-N
XLogP0.20
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-butan-2-ylpyrimidine-2-carboxamide
CID 130701737
4-amino-N-ethylpyrimidine-2-carboxamide
CID 117213053
4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrimidine-2-carboxamide
CID 154797193
2-[(4-aminopyrimidin-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 115978164
4-amino-N,N-dimethylpyrimidine-2-carboxamide
CID 117212988
methyl 2-[(4-aminopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 116796877
4-amino-N-[(1R)-2-[(2,2-dimethylcyclobutanecarbonyl)amino]-1-phenylethyl]pyrimidine-2-carboxamide
CID 167957445
2-N,4-N-di(propan-2-yl)pyridine-2,4-dicarboxamide
CID 109078008
4-(18F)fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 172512860
2-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 83404912
(3-fluorophenyl) 4-aminopyrimidine-2-carboxylate
CID 117213026
5-amino-8-methyl-N-propan-2-ylisoquinoline-1-carboxamide
CID 82571919

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-propan-2-ylpyrimidine-2-carboxamide?
The IUPAC name of 4-amino-N-propan-2-ylpyrimidine-2-carboxamide (CID 117213055) is 4-amino-N-propan-2-ylpyrimidine-2-carboxamide.
What is the SMILES notation for 4-amino-N-propan-2-ylpyrimidine-2-carboxamide?
The canonical SMILES for 4-amino-N-propan-2-ylpyrimidine-2-carboxamide is CC(C)NC(=O)c1nccc(N)n1.
What is the InChIKey of 4-amino-N-propan-2-ylpyrimidine-2-carboxamide?
The InChIKey is XCQSSAUMSZOTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-5(2)11-8(13)7-10-4-3-6(9)12-7/h3-5H,1-2H3,(H,11,13)(H2,9,10,12).
What are the key properties of 4-amino-N-propan-2-ylpyrimidine-2-carboxamide?
4-amino-N-propan-2-ylpyrimidine-2-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-propan-2-ylpyrimidine-2-carboxamide is sourced from PubChem (CID 117213055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).