N-tert-butyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide

C13H22N4O — CID 109319328

IUPACN-tert-butyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)C)nc(NC(C)C)n1
InChIInChI=1S/C13H22N4O/c1-8(2)14-12-15-9(3)7-10(16-12)11(18)17-13(4,5)6/h7-8H,1-6H3,(H,17,18)(H,14,15,16)
InChIKeyHSUMZARJXZXNIC-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.13
Rot. Bonds3

About N-tert-butyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide

N-tert-butyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide (PubChem CID 109319328) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-tert-butyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
PubChem CID109319328
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-tert-butyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)C)nc(NC(C)C)n1
InChIInChI=1S/C13H22N4O/c1-8(2)14-12-15-9(3)7-10(16-12)11(18)17-13(4,5)6/h7-8H,1-6H3,(H,17,18)(H,14,15,16)
InChIKeyHSUMZARJXZXNIC-UHFFFAOYSA-N
XLogP2.13
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-propan-2-yl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319251
N-tert-butyl-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
CID 109332725
N-cyclopentyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319258
N-tert-butyl-2-chloro-6-methylpyrimidine-4-carboxamide
CID 102538215
N-tert-butyl-6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109332844
N-tert-butyl-2-(2,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332746
N-(4-bromo-2-methylphenyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319418
N-tert-butyl-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329638
N-tert-butyl-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329884
N-tert-butyl-2-(3-chloro-4-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332770
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319403
N-(3-chloro-4-fluorophenyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319375

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-tert-butyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide (CID 109319328) is N-tert-butyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide is Cc1cc(C(=O)NC(C)(C)C)nc(NC(C)C)n1.
What is the InChIKey of N-tert-butyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide?
The InChIKey is HSUMZARJXZXNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-8(2)14-12-15-9(3)7-10(16-12)11(18)17-13(4,5)6/h7-8H,1-6H3,(H,17,18)(H,14,15,16).
What are the key properties of N-tert-butyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide?
N-tert-butyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109319328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).