N-butyl-6-(3-methoxyanilino)-N-methyl-2-phenylpyrimidine-4-carboxamide

C23H26N4O2 — CID 112854404

IUPACN-butyl-6-(3-methoxyanilino)-N-methyl-2-phenylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(Nc2cccc(OC)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H26N4O2/c1-4-5-14-27(2)23(28)20-16-21(24-18-12-9-13-19(15-18)29-3)26-22(25-20)17-10-7-6-8-11-17/h6-13,15-16H,4-5,14H2,1-3H3,(H,24,25,26)
InChIKeyIPRNRMINHDTLCB-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.77
Rot. Bonds8

About N-butyl-6-(3-methoxyanilino)-N-methyl-2-phenylpyrimidine-4-carboxamide

N-butyl-6-(3-methoxyanilino)-N-methyl-2-phenylpyrimidine-4-carboxamide (PubChem CID 112854404) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-butyl-6-(3-methoxyanilino)-N-methyl-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-6-(3-methoxyanilino)-N-methyl-2-phenylpyrimidine-4-carboxamide
PubChem CID112854404
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-butyl-6-(3-methoxyanilino)-N-methyl-2-phenylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(Nc2cccc(OC)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H26N4O2/c1-4-5-14-27(2)23(28)20-16-21(24-18-12-9-13-19(15-18)29-3)26-22(25-20)17-10-7-6-8-11-17/h6-13,15-16H,4-5,14H2,1-3H3,(H,24,25,26)
InChIKeyIPRNRMINHDTLCB-UHFFFAOYSA-N
XLogP4.77
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-6-(3-methoxypropylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide
CID 112853309
6-N-butyl-2-N-(3-methoxyphenyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109099571
6-N-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112880900
N-butyl-N,2-dimethyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 112847031
[6-(3-methoxyanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853519
N-benzyl-6-(butylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide
CID 112852236
6-anilino-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4-carboxamide
CID 112853763
4-N-(3-methoxyphenyl)-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879665
6-anilino-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851408
N-butyl-6-(4-fluoroanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847053
6-(3-chloroanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851418
6-N-butyl-2-N-[2-(3-methoxyphenyl)ethyl]-6-N-methylpyridine-2,6-dicarboxamide
CID 109098641

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(3-methoxyanilino)-N-methyl-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-butyl-6-(3-methoxyanilino)-N-methyl-2-phenylpyrimidine-4-carboxamide (CID 112854404) is N-butyl-6-(3-methoxyanilino)-N-methyl-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-6-(3-methoxyanilino)-N-methyl-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-6-(3-methoxyanilino)-N-methyl-2-phenylpyrimidine-4-carboxamide is CCCCN(C)C(=O)c1cc(Nc2cccc(OC)c2)nc(-c2ccccc2)n1.
What is the InChIKey of N-butyl-6-(3-methoxyanilino)-N-methyl-2-phenylpyrimidine-4-carboxamide?
The InChIKey is IPRNRMINHDTLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-4-5-14-27(2)23(28)20-16-21(24-18-12-9-13-19(15-18)29-3)26-22(25-20)17-10-7-6-8-11-17/h6-13,15-16H,4-5,14H2,1-3H3,(H,24,25,26).
What are the key properties of N-butyl-6-(3-methoxyanilino)-N-methyl-2-phenylpyrimidine-4-carboxamide?
N-butyl-6-(3-methoxyanilino)-N-methyl-2-phenylpyrimidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(3-methoxyanilino)-N-methyl-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112854404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).