N-(4-amino-4-oxobutan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide

C11H17N5O2 — CID 114220456

IUPACN-(4-amino-4-oxobutan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide
SMILESCNc1nc(C)cc(C(=O)NC(C)CC(N)=O)n1
InChIInChI=1S/C11H17N5O2/c1-6-4-8(16-11(13-3)15-6)10(18)14-7(2)5-9(12)17/h4,7H,5H2,1-3H3,(H2,12,17)(H,14,18)(H,13,15,16)
InChIKeyNGDRCUUEZPGXOF-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.18
Rot. Bonds5

About N-(4-amino-4-oxobutan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide

N-(4-amino-4-oxobutan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide (PubChem CID 114220456) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(4-amino-4-oxobutan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide
PubChem CID114220456
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC NameN-(4-amino-4-oxobutan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide
SMILESCNc1nc(C)cc(C(=O)NC(C)CC(N)=O)n1
InChIInChI=1S/C11H17N5O2/c1-6-4-8(16-11(13-3)15-6)10(18)14-7(2)5-9(12)17/h4,7H,5H2,1-3H3,(H2,12,17)(H,14,18)(H,13,15,16)
InChIKeyNGDRCUUEZPGXOF-UHFFFAOYSA-N
XLogP-0.18
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethylsulfanylpropan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide
CID 114220455
N-butan-2-yl-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide
CID 109321438
6-methyl-N-propan-2-yl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319251
6-methyl-2-(methylamino)pyrimidine-4-carbothioamide
CID 107546167
4-amino-N-(4-amino-4-oxobutan-2-yl)quinoline-2-carboxamide
CID 115751990
N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-2-carboxamide
CID 115869084
N-butan-2-yl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109321370
2-(aminomethyl)-N-(4-amino-4-oxobutan-2-yl)-1,3-thiazole-4-carboxamide
CID 115740649
ethyl 4-[[4-(butan-2-ylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109321533
N-[(2R)-4-amino-4-oxobutan-2-yl]-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 95778148
N-butan-2-yl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109321493
N-butan-2-yl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109321464

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-amino-4-oxobutan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide (CID 114220456) is N-(4-amino-4-oxobutan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-amino-4-oxobutan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-amino-4-oxobutan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide is CNc1nc(C)cc(C(=O)NC(C)CC(N)=O)n1.
What is the InChIKey of N-(4-amino-4-oxobutan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide?
The InChIKey is NGDRCUUEZPGXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-6-4-8(16-11(13-3)15-6)10(18)14-7(2)5-9(12)17/h4,7H,5H2,1-3H3,(H2,12,17)(H,14,18)(H,13,15,16).
What are the key properties of N-(4-amino-4-oxobutan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide?
N-(4-amino-4-oxobutan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 114220456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).