6-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4-carboxamide

C22H22N4O3 — CID 112851799

IUPAC6-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(NC3CC3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H22N4O3/c1-28-16-10-11-19(29-2)17(12-16)25-22(27)18-13-20(23-15-8-9-15)26-21(24-18)14-6-4-3-5-7-14/h3-7,10-13,15H,8-9H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyHYTZXBWZCWQXBT-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.99
Rot. Bonds7

About 6-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4-carboxamide

6-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112851799) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 6-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4-carboxamide
PubChem CID112851799
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name6-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(NC3CC3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H22N4O3/c1-28-16-10-11-19(29-2)17(12-16)25-22(27)18-13-20(23-15-8-9-15)26-21(24-18)14-6-4-3-5-7-14/h3-7,10-13,15H,8-9H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyHYTZXBWZCWQXBT-UHFFFAOYSA-N
XLogP3.99
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(cyclopropylamino)-N-(2,4-dimethoxyphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112851800
4-N-cyclopentyl-6-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112880075
N-cyclopropyl-6-(2-methoxyanilino)-2-phenylpyrimidine-4-carboxamide
CID 112851919
6-(2,5-dimethoxyanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851430
6-(cyclopropylamino)-2-phenyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 112851824
2-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109295653
6-(cyclopentylamino)-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109112205
6-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112854299
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
N-(4-cyanophenyl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112851822
2-(cycloheptylamino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide
CID 109175088
N-(1,3-benzodioxol-5-yl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112851815

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4-carboxamide (CID 112851799) is 6-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4-carboxamide is COc1ccc(OC)c(NC(=O)c2cc(NC3CC3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 6-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is HYTZXBWZCWQXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-28-16-10-11-19(29-2)17(12-16)25-22(27)18-13-20(23-15-8-9-15)26-21(24-18)14-6-4-3-5-7-14/h3-7,10-13,15H,8-9H2,1-2H3,(H,25,27)(H,23,24,26).
What are the key properties of 6-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4-carboxamide?
6-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112851799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).