2-(tert-butylamino)-N-(2-tert-butylphenyl)pyrimidine-4-carboxamide

C19H26N4O — CID 109311222

IUPAC2-(tert-butylamino)-N-(2-tert-butylphenyl)pyrimidine-4-carboxamide
SMILESCC(C)(C)Nc1nccc(C(=O)Nc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C19H26N4O/c1-18(2,3)13-9-7-8-10-14(13)21-16(24)15-11-12-20-17(22-15)23-19(4,5)6/h7-12H,1-6H3,(H,21,24)(H,20,22,23)
InChIKeyRBCPVEIZJOGTTA-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.24
Rot. Bonds3

About 2-(tert-butylamino)-N-(2-tert-butylphenyl)pyrimidine-4-carboxamide

2-(tert-butylamino)-N-(2-tert-butylphenyl)pyrimidine-4-carboxamide (PubChem CID 109311222) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(2-tert-butylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(2-tert-butylphenyl)pyrimidine-4-carboxamide
PubChem CID109311222
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-(tert-butylamino)-N-(2-tert-butylphenyl)pyrimidine-4-carboxamide
SMILESCC(C)(C)Nc1nccc(C(=O)Nc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C19H26N4O/c1-18(2,3)13-9-7-8-10-14(13)21-16(24)15-11-12-20-17(22-15)23-19(4,5)6/h7-12H,1-6H3,(H,21,24)(H,20,22,23)
InChIKeyRBCPVEIZJOGTTA-UHFFFAOYSA-N
XLogP4.24
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylphenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311458
N-(2-tert-butylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109310973
N-(2-tert-butylphenyl)-2-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109316369
N-(2-tert-butylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109316365
N-(2-tert-butylphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-4-carboxamide
CID 109309152
2-(tert-butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307055
N-(3-acetylphenyl)-2-(tert-butylamino)pyrimidine-4-carboxamide
CID 109311253
2-(2-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109308327
N-(2-tert-butylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312487
N-(2-tert-butylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201594
2-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109303361
3-N,5-N-bis(2-tert-butylphenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097819

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(2-tert-butylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(tert-butylamino)-N-(2-tert-butylphenyl)pyrimidine-4-carboxamide (CID 109311222) is 2-(tert-butylamino)-N-(2-tert-butylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(2-tert-butylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(tert-butylamino)-N-(2-tert-butylphenyl)pyrimidine-4-carboxamide is CC(C)(C)Nc1nccc(C(=O)Nc2ccccc2C(C)(C)C)n1.
What is the InChIKey of 2-(tert-butylamino)-N-(2-tert-butylphenyl)pyrimidine-4-carboxamide?
The InChIKey is RBCPVEIZJOGTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-18(2,3)13-9-7-8-10-14(13)21-16(24)15-11-12-20-17(22-15)23-19(4,5)6/h7-12H,1-6H3,(H,21,24)(H,20,22,23).
What are the key properties of 2-(tert-butylamino)-N-(2-tert-butylphenyl)pyrimidine-4-carboxamide?
2-(tert-butylamino)-N-(2-tert-butylphenyl)pyrimidine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(2-tert-butylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109311222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).