N-butan-2-yl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide

C22H24N4O — CID 112852599

IUPACN-butan-2-yl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(N(C)c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H24N4O/c1-4-16(2)23-22(27)19-15-20(26(3)18-13-9-6-10-14-18)25-21(24-19)17-11-7-5-8-12-17/h5-16H,4H2,1-3H3,(H,23,27)
InChIKeySZNWSJJWOYECAS-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.44
Rot. Bonds6

About N-butan-2-yl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide

N-butan-2-yl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112852599) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-butan-2-yl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide
PubChem CID112852599
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-butan-2-yl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(N(C)c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H24N4O/c1-4-16(2)23-22(27)19-15-20(26(3)18-13-9-6-10-14-18)25-21(24-19)17-11-7-5-8-12-17/h5-16H,4H2,1-3H3,(H,23,27)
InChIKeySZNWSJJWOYECAS-UHFFFAOYSA-N
XLogP4.44
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(N-methylanilino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851649
N-tert-butyl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112854326
N-[2-(dimethylamino)ethyl]-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112853685
6-[benzyl(methyl)amino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851607
N-butan-2-yl-6-(4-methoxyanilino)-2-phenylpyrimidine-4-carboxamide
CID 112852605
N-butan-2-yl-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109297362
N-butan-2-yl-2-phenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112851959
6-(3-acetylanilino)-N-butan-2-yl-2-phenylpyrimidine-4-carboxamide
CID 112852608
N-butan-2-yl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112852584
6-(dimethylamino)-2-phenylpyrimidine-4-carboxylic acid
CID 82170133
6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112852490
N-[(2R)-butan-2-yl]-3-(dimethylamino)benzamide
CID 25345776

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide (CID 112852599) is N-butan-2-yl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide is CCC(C)NC(=O)c1cc(N(C)c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of N-butan-2-yl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is SZNWSJJWOYECAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-4-16(2)23-22(27)19-15-20(26(3)18-13-9-6-10-14-18)25-21(24-19)17-11-7-5-8-12-17/h5-16H,4H2,1-3H3,(H,23,27).
What are the key properties of N-butan-2-yl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide?
N-butan-2-yl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112852599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).