N-cyclopropyl-6-(2-methoxyanilino)-2-phenylpyrimidine-4-carboxamide

C21H20N4O2 — CID 112851919

IUPACN-cyclopropyl-6-(2-methoxyanilino)-2-phenylpyrimidine-4-carboxamide
SMILESCOc1ccccc1Nc1cc(C(=O)NC2CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H20N4O2/c1-27-18-10-6-5-9-16(18)23-19-13-17(21(26)22-15-11-12-15)24-20(25-19)14-7-3-2-4-8-14/h2-10,13,15H,11-12H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyBULSYSVDDHVMBK-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.79
Rot. Bonds6

About N-cyclopropyl-6-(2-methoxyanilino)-2-phenylpyrimidine-4-carboxamide

N-cyclopropyl-6-(2-methoxyanilino)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112851919) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-cyclopropyl-6-(2-methoxyanilino)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-(2-methoxyanilino)-2-phenylpyrimidine-4-carboxamide
PubChem CID112851919
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-cyclopropyl-6-(2-methoxyanilino)-2-phenylpyrimidine-4-carboxamide
SMILESCOc1ccccc1Nc1cc(C(=O)NC2CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H20N4O2/c1-27-18-10-6-5-9-16(18)23-19-13-17(21(26)22-15-11-12-15)24-20(25-19)14-7-3-2-4-8-14/h2-10,13,15H,11-12H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyBULSYSVDDHVMBK-UHFFFAOYSA-N
XLogP3.79
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-cyanoanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851948
N-cycloheptyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109373996
6-(4-acetylanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851934
N-cyclopropyl-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112851897
6-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112851799
N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852793
6-(cyclopropylamino)-N-(2,4-dimethoxyphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112851800
6-(2,5-dimethoxyanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851430
N-cyclopentyl-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide
CID 109363408
6-(tert-butylamino)-N-cyclohexyl-2-phenylpyrimidine-4-carboxamide
CID 112853019
2-phenyl-6-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide
CID 112851428
N-cyclopropyl-6-[2-(4-fluorophenyl)ethylamino]-2-phenylpyrimidine-4-carboxamide
CID 112851870

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-(2-methoxyanilino)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-6-(2-methoxyanilino)-2-phenylpyrimidine-4-carboxamide (CID 112851919) is N-cyclopropyl-6-(2-methoxyanilino)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-(2-methoxyanilino)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-6-(2-methoxyanilino)-2-phenylpyrimidine-4-carboxamide is COc1ccccc1Nc1cc(C(=O)NC2CC2)nc(-c2ccccc2)n1.
What is the InChIKey of N-cyclopropyl-6-(2-methoxyanilino)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is BULSYSVDDHVMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-27-18-10-6-5-9-16(18)23-19-13-17(21(26)22-15-11-12-15)24-20(25-19)14-7-3-2-4-8-14/h2-10,13,15H,11-12H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of N-cyclopropyl-6-(2-methoxyanilino)-2-phenylpyrimidine-4-carboxamide?
N-cyclopropyl-6-(2-methoxyanilino)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-(2-methoxyanilino)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112851919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).