6-(N-methylanilino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide

C21H22N4O — CID 112851649

IUPAC6-(N-methylanilino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)NC(=O)c1cc(N(C)c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H22N4O/c1-15(2)22-21(26)18-14-19(25(3)17-12-8-5-9-13-17)24-20(23-18)16-10-6-4-7-11-16/h4-15H,1-3H3,(H,22,26)
InChIKeyMRYIXRFTDZURLF-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.05
Rot. Bonds5

About 6-(N-methylanilino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide

6-(N-methylanilino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 112851649) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 6-(N-methylanilino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(N-methylanilino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
PubChem CID112851649
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name6-(N-methylanilino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)NC(=O)c1cc(N(C)c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H22N4O/c1-15(2)22-21(26)18-14-19(25(3)17-12-8-5-9-13-17)24-20(23-18)16-10-6-4-7-11-16/h4-15H,1-3H3,(H,22,26)
InChIKeyMRYIXRFTDZURLF-UHFFFAOYSA-N
XLogP4.05
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112852599
N-tert-butyl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112854326
6-[benzyl(methyl)amino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851607
N-[2-(dimethylamino)ethyl]-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112853685
6-(2-methylpropylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851582
6-(dimethylamino)-2-phenylpyrimidine-4-carboxylic acid
CID 82170133
6-morpholin-4-yl-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851592
6-[(4-methylphenyl)methylamino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851605
6-(N-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109347681
6-(furan-2-ylmethylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851601
2-methyl-6-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 112848488
2-phenyl-N-propan-2-yl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 112851683

Frequently Asked Questions

What is the IUPAC name of 6-(N-methylanilino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-(N-methylanilino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide (CID 112851649) is 6-(N-methylanilino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(N-methylanilino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(N-methylanilino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide is CC(C)NC(=O)c1cc(N(C)c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(N-methylanilino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is MRYIXRFTDZURLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15(2)22-21(26)18-14-19(25(3)17-12-8-5-9-13-17)24-20(23-18)16-10-6-4-7-11-16/h4-15H,1-3H3,(H,22,26).
What are the key properties of 6-(N-methylanilino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide?
6-(N-methylanilino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-methylanilino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 112851649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).