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

C15H26N4O — CID 109332607

IUPAC2-(tert-butylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCC(C)C)nc(NC(C)(C)C)n1
InChIInChI=1S/C15H26N4O/c1-10(2)7-8-16-13(20)12-9-11(3)17-14(18-12)19-15(4,5)6/h9-10H,7-8H2,1-6H3,(H,16,20)(H,17,18,19)
InChIKeyOPOXOAHWKJPHLE-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.77
Rot. Bonds5

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

2-(tert-butylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide (PubChem CID 109332607) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(tert-butylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(tert-butylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
PubChem CID109332607
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-(tert-butylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCC(C)C)nc(NC(C)(C)C)n1
InChIInChI=1S/C15H26N4O/c1-10(2)7-8-16-13(20)12-9-11(3)17-14(18-12)19-15(4,5)6/h9-10H,7-8H2,1-6H3,(H,16,20)(H,17,18,19)
InChIKeyOPOXOAHWKJPHLE-UHFFFAOYSA-N
XLogP2.77
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333226
N-butyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109320680
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-amino-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 82171955
N-butan-2-yl-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide
CID 109321438
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
2-(4-ethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333217
6-methyl-2-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333205
2-(2,3-dichloroanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333292
2-N-tert-butyl-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112924749

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(tert-butylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide (CID 109332607) is 2-(tert-butylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(tert-butylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(tert-butylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCCC(C)C)nc(NC(C)(C)C)n1.
What is the InChIKey of 2-(tert-butylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The InChIKey is OPOXOAHWKJPHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-10(2)7-8-16-13(20)12-9-11(3)17-14(18-12)19-15(4,5)6/h9-10H,7-8H2,1-6H3,(H,16,20)(H,17,18,19).
What are the key properties of 2-(tert-butylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
2-(tert-butylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109332607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).