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

C19H26N4O — CID 109296803

IUPACN-(4-tert-butylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCC(C)CNc1nccc(C(=O)Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C19H26N4O/c1-13(2)12-21-18-20-11-10-16(23-18)17(24)22-15-8-6-14(7-9-15)19(3,4)5/h6-11,13H,12H2,1-5H3,(H,22,24)(H,20,21,23)
InChIKeyRYSBJRRGBSBDLG-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.09
Rot. Bonds5

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

N-(4-tert-butylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide (PubChem CID 109296803) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
PubChem CID109296803
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-(4-tert-butylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCC(C)CNc1nccc(C(=O)Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C19H26N4O/c1-13(2)12-21-18-20-11-10-16(23-18)17(24)22-15-8-6-14(7-9-15)19(3,4)5/h6-11,13H,12H2,1-5H3,(H,22,24)(H,20,21,23)
InChIKeyRYSBJRRGBSBDLG-UHFFFAOYSA-N
XLogP4.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-tert-butylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylpropylamino)pyrimidine-4-carboxylic acid
CID 103689466
N-(4-tert-butylphenyl)-2-(2-chloroanilino)pyrimidine-4-carboxamide
CID 109316409
N-(4-tert-butylphenyl)-2-(3,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109316431
N-(4-tert-butylphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide
CID 109217414
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296867
N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide
CID 109294858
2-(4-tert-butylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109316405
N-(3-methoxypropyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296702
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296875
N-(2-methoxy-5-methylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296824
2-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109297207
N-(4-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307500

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide (CID 109296803) is N-(4-tert-butylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide is CC(C)CNc1nccc(C(=O)Nc2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide?
The InChIKey is RYSBJRRGBSBDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13(2)12-21-18-20-11-10-16(23-18)17(24)22-15-8-6-14(7-9-15)19(3,4)5/h6-11,13H,12H2,1-5H3,(H,22,24)(H,20,21,23).
What are the key properties of N-(4-tert-butylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide?
N-(4-tert-butylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109296803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).