N-(4-amino-3-methylbutan-2-yl)pyrimidine-5-carboxamide

C10H16N4O — CID 102922915

IUPACN-(4-amino-3-methylbutan-2-yl)pyrimidine-5-carboxamide
SMILESCC(CN)C(C)NC(=O)c1cncnc1
InChIInChI=1S/C10H16N4O/c1-7(3-11)8(2)14-10(15)9-4-12-6-13-5-9/h4-8H,3,11H2,1-2H3,(H,14,15)
InChIKeyXCOBPFXOTOWCFZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.19
Rot. Bonds4

About N-(4-amino-3-methylbutan-2-yl)pyrimidine-5-carboxamide

N-(4-amino-3-methylbutan-2-yl)pyrimidine-5-carboxamide (PubChem CID 102922915) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is N-(4-amino-3-methylbutan-2-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-methylbutan-2-yl)pyrimidine-5-carboxamide
PubChem CID102922915
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC NameN-(4-amino-3-methylbutan-2-yl)pyrimidine-5-carboxamide
SMILESCC(CN)C(C)NC(=O)c1cncnc1
InChIInChI=1S/C10H16N4O/c1-7(3-11)8(2)14-10(15)9-4-12-6-13-5-9/h4-8H,3,11H2,1-2H3,(H,14,15)
InChIKeyXCOBPFXOTOWCFZ-UHFFFAOYSA-N
XLogP0.19
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]pyrimidine-5-carboxamide
CID 102922368
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyrimidine-5-carboxamide
CID 104629795
N-(1-chloropropan-2-yl)pyrimidine-5-carboxamide
CID 102922755
(2R)-2-(pyrimidine-5-carbonylamino)propanoic acid
CID 102921462
N-(1-hydroxy-3-methylbutan-2-yl)pyrimidine-5-carboxamide
CID 102922170
diethyl 2-(pyrimidine-5-carbonylamino)propanedioate
CID 104625967
N-(1-cyanoethyl)pyrimidine-5-carboxamide
CID 104626690
N-(1-hydroxy-4-methylpentan-3-yl)pyrimidine-5-carboxamide
CID 104629427
N-(1-hydroxy-4-methylpentan-2-yl)pyrimidine-5-carboxamide
CID 104627101
N-(1-bromo-4-methylpentan-3-yl)pyrimidine-5-carboxamide
CID 106355183
4-amino-3-methyl-1-pyrimidin-5-ylbutan-1-one
CID 116596516
N-(1-bromo-4,4-dimethylpentan-3-yl)pyrimidine-5-carboxamide
CID 106356037

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methylbutan-2-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-amino-3-methylbutan-2-yl)pyrimidine-5-carboxamide (CID 102922915) is N-(4-amino-3-methylbutan-2-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-amino-3-methylbutan-2-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-amino-3-methylbutan-2-yl)pyrimidine-5-carboxamide is CC(CN)C(C)NC(=O)c1cncnc1.
What is the InChIKey of N-(4-amino-3-methylbutan-2-yl)pyrimidine-5-carboxamide?
The InChIKey is XCOBPFXOTOWCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7(3-11)8(2)14-10(15)9-4-12-6-13-5-9/h4-8H,3,11H2,1-2H3,(H,14,15).
What are the key properties of N-(4-amino-3-methylbutan-2-yl)pyrimidine-5-carboxamide?
N-(4-amino-3-methylbutan-2-yl)pyrimidine-5-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methylbutan-2-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 102922915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).