6-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide

C22H24N4O2 — CID 112851378

IUPAC6-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(NCc2ccc(OC)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H24N4O2/c1-3-13-23-22(27)19-14-20(24-15-16-9-11-18(28-2)12-10-16)26-21(25-19)17-7-5-4-6-8-17/h4-12,14H,3,13,15H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyMTYXZIGJMFDCEZ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.90
Rot. Bonds8

About 6-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide

6-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide (PubChem CID 112851378) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide
PubChem CID112851378
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name6-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(NCc2ccc(OC)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H24N4O2/c1-3-13-23-22(27)19-14-20(24-15-16-9-11-18(28-2)12-10-16)26-21(25-19)17-7-5-4-6-8-17/h4-12,14H,3,13,15H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyMTYXZIGJMFDCEZ-UHFFFAOYSA-N
XLogP3.90
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853211
6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853200
6-[2-(3-methoxyphenyl)ethylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851389
N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851276
6-(2,5-dimethoxyanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851430
6-anilino-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851408
2-phenyl-N-(3-phenylpropyl)-6-(propylamino)pyrimidine-4-carboxamide
CID 112851285
N-[(4-fluorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853112
N-[(4-chlorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853114
N-pentyl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112854090
6-[(4-methylphenyl)methylamino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851605
6-N-[(4-methoxyphenyl)methyl]-2-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112881287

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 6-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide (CID 112851378) is 6-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1cc(NCc2ccc(OC)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide?
The InChIKey is MTYXZIGJMFDCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-3-13-23-22(27)19-14-20(24-15-16-9-11-18(28-2)12-10-16)26-21(25-19)17-7-5-4-6-8-17/h4-12,14H,3,13,15H2,1-2H3,(H,23,27)(H,24,25,26).
What are the key properties of 6-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide?
6-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 112851378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).