N-tert-butyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide

C18H24N4O — CID 109311338

IUPACN-tert-butyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCC(C)c1ccc(Nc2nccc(C(=O)NC(C)(C)C)n2)cc1
InChIInChI=1S/C18H24N4O/c1-12(2)13-6-8-14(9-7-13)20-17-19-11-10-15(21-17)16(23)22-18(3,4)5/h6-12H,1-5H3,(H,22,23)(H,19,20,21)
InChIKeyBTMPZEFEUNRSFW-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.87
Rot. Bonds4

About N-tert-butyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide

N-tert-butyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide (PubChem CID 109311338) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-tert-butyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
PubChem CID109311338
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-tert-butyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCC(C)c1ccc(Nc2nccc(C(=O)NC(C)(C)C)n2)cc1
InChIInChI=1S/C18H24N4O/c1-12(2)13-6-8-14(9-7-13)20-17-19-11-10-15(21-17)16(23)22-18(3,4)5/h6-12H,1-5H3,(H,22,23)(H,19,20,21)
InChIKeyBTMPZEFEUNRSFW-UHFFFAOYSA-N
XLogP3.87
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloroanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109316132
N-cyclohexyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109298869
2-(3-chloroanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109316131
N-(2-phenylethyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109307912
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316127
N-tert-butyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304745
2-(3-chloro-4-fluoroanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109316133
methyl 2-[[2-(4-propan-2-ylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109316110
N-(3-cyanophenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316121
N-(2,5-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316103
N-tert-butyl-2-(2,6-diethylanilino)pyrimidine-4-carboxamide
CID 109311340
N-tert-butyl-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide
CID 109311332

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-tert-butyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide (CID 109311338) is N-tert-butyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide is CC(C)c1ccc(Nc2nccc(C(=O)NC(C)(C)C)n2)cc1.
What is the InChIKey of N-tert-butyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
The InChIKey is BTMPZEFEUNRSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-12(2)13-6-8-14(9-7-13)20-17-19-11-10-15(21-17)16(23)22-18(3,4)5/h6-12H,1-5H3,(H,22,23)(H,19,20,21).
What are the key properties of N-tert-butyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
N-tert-butyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109311338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).