N,N-diethyl-2-methyl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide

C19H26N4O — CID 109373430

IUPACN,N-diethyl-2-methyl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(Nc2ccccc2C(C)C)nc(C)n1
InChIInChI=1S/C19H26N4O/c1-6-23(7-2)19(24)17-12-18(21-14(5)20-17)22-16-11-9-8-10-15(16)13(3)4/h8-13H,6-7H2,1-5H3,(H,20,21,22)
InChIKeyQSSIZUGYDIZVON-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.13
Rot. Bonds6

About N,N-diethyl-2-methyl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide

N,N-diethyl-2-methyl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide (PubChem CID 109373430) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N,N-diethyl-2-methyl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-methyl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
PubChem CID109373430
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN,N-diethyl-2-methyl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(Nc2ccccc2C(C)C)nc(C)n1
InChIInChI=1S/C19H26N4O/c1-6-23(7-2)19(24)17-12-18(21-14(5)20-17)22-16-11-9-8-10-15(16)13(3)4/h8-13H,6-7H2,1-5H3,(H,20,21,22)
InChIKeyQSSIZUGYDIZVON-UHFFFAOYSA-N
XLogP4.13
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-2-methyl-6-(2-propan-2-ylanilino)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-methyl-N-propan-2-yl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109360676
[2-methyl-6-(2-propan-2-ylanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109362973
N-[(4-methoxyphenyl)methyl]-2-methyl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109370459
6-(2,6-difluoroanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373516
2,3-dihydroindol-1-yl-[2-methyl-6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 112848714
6-(2-propan-2-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109355356
6-(3-bromoanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373487
6-(2-cyanoanilino)-2-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 112847628
N-benzyl-6-(butan-2-ylamino)-N-ethyl-2-methylpyrimidine-4-carboxamide
CID 109362341
2-methyl-6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112876263
6-(2-chloroanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide
CID 112854247
6-(2-ethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360701

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methyl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N,N-diethyl-2-methyl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide (CID 109373430) is N,N-diethyl-2-methyl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-2-methyl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N,N-diethyl-2-methyl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide is CCN(CC)C(=O)c1cc(Nc2ccccc2C(C)C)nc(C)n1.
What is the InChIKey of N,N-diethyl-2-methyl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide?
The InChIKey is QSSIZUGYDIZVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-6-23(7-2)19(24)17-12-18(21-14(5)20-17)22-16-11-9-8-10-15(16)13(3)4/h8-13H,6-7H2,1-5H3,(H,20,21,22).
What are the key properties of N,N-diethyl-2-methyl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide?
N,N-diethyl-2-methyl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methyl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109373430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).