N-butan-2-yl-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide

C14H24N4O — CID 109321438

IUPACN-butan-2-yl-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(C)nc(NC(C)(C)C)n1
InChIInChI=1S/C14H24N4O/c1-7-9(2)15-12(19)11-8-10(3)16-13(17-11)18-14(4,5)6/h8-9H,7H2,1-6H3,(H,15,19)(H,16,17,18)
InChIKeyZVGYXGJNLRUEIF-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.52
Rot. Bonds4

About N-butan-2-yl-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide

N-butan-2-yl-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109321438) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-butan-2-yl-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide
PubChem CID109321438
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-butan-2-yl-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(C)nc(NC(C)(C)C)n1
InChIInChI=1S/C14H24N4O/c1-7-9(2)15-12(19)11-8-10(3)16-13(17-11)18-14(4,5)6/h8-9H,7H2,1-6H3,(H,15,19)(H,16,17,18)
InChIKeyZVGYXGJNLRUEIF-UHFFFAOYSA-N
XLogP2.52
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-(2-tert-butylanilino)-6-methylpyrimidine-4-carboxamide
CID 109321474
2-(tert-butylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109332607
N-butan-2-yl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109321370
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
2-(butan-2-ylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319063
N-butan-2-yl-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109321407
ethyl 4-[[4-(butan-2-ylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109321533
N-(1-ethylsulfanylpropan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide
CID 114220455
N-(4-amino-4-oxobutan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide
CID 114220456
2-(butan-2-ylamino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109321282
N-butan-2-yl-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
CID 109321443

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide (CID 109321438) is N-butan-2-yl-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide is CCC(C)NC(=O)c1cc(C)nc(NC(C)(C)C)n1.
What is the InChIKey of N-butan-2-yl-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is ZVGYXGJNLRUEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-7-9(2)15-12(19)11-8-10(3)16-13(17-11)18-14(4,5)6/h8-9H,7H2,1-6H3,(H,15,19)(H,16,17,18).
What are the key properties of N-butan-2-yl-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide?
N-butan-2-yl-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109321438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).