2-amino-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide

C11H18N4O — CID 82171955

IUPAC2-amino-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCC(C)C)nc(N)n1
InChIInChI=1S/C11H18N4O/c1-7(2)4-5-13-10(16)9-6-8(3)14-11(12)15-9/h6-7H,4-5H2,1-3H3,(H,13,16)(H2,12,14,15)
InChIKeyMJRUSJKCGJJQMM-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.14
Rot. Bonds4

About 2-amino-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide

2-amino-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide (PubChem CID 82171955) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-amino-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
PubChem CID82171955
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-amino-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCC(C)C)nc(N)n1
InChIInChI=1S/C11H18N4O/c1-7(2)4-5-13-10(16)9-6-8(3)14-11(12)15-9/h6-7H,4-5H2,1-3H3,(H,13,16)(H2,12,14,15)
InChIKeyMJRUSJKCGJJQMM-UHFFFAOYSA-N
XLogP1.14
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-methyl-N-(2-propan-2-yloxyethyl)pyrimidine-4-carboxamide
CID 114220427
2-(tert-butylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109332607
2-(3,5-dimethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333213
2-[(4-chlorophenyl)methylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109328971
2-(2,5-dichloroanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333289
N-butyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109320680
6-methyl-2-(2-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333204
2-(cycloheptylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109332847
6-methyl-2-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333205
2-(4-ethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333217
2-(4-tert-butylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333226
2-(2,3-dichloroanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333292

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide (CID 82171955) is 2-amino-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCCC(C)C)nc(N)n1.
What is the InChIKey of 2-amino-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The InChIKey is MJRUSJKCGJJQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7(2)4-5-13-10(16)9-6-8(3)14-11(12)15-9/h6-7H,4-5H2,1-3H3,(H,13,16)(H2,12,14,15).
What are the key properties of 2-amino-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
2-amino-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 82171955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).