N-cyclopropyl-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide

C21H20N4O — CID 112851897

IUPACN-cyclopropyl-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide
SMILESCc1cccc(Nc2cc(C(=O)NC3CC3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C21H20N4O/c1-14-6-5-9-17(12-14)22-19-13-18(21(26)23-16-10-11-16)24-20(25-19)15-7-3-2-4-8-15/h2-9,12-13,16H,10-11H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyCQBCQFXZKTVUSW-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.09
Rot. Bonds5

About N-cyclopropyl-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide

N-cyclopropyl-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112851897) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is N-cyclopropyl-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide
PubChem CID112851897
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC NameN-cyclopropyl-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide
SMILESCc1cccc(Nc2cc(C(=O)NC3CC3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C21H20N4O/c1-14-6-5-9-17(12-14)22-19-13-18(21(26)23-16-10-11-16)24-20(25-19)15-7-3-2-4-8-15/h2-9,12-13,16H,10-11H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyCQBCQFXZKTVUSW-UHFFFAOYSA-N
XLogP4.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-acetylanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851934
N-(2-methoxyethyl)-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112853236
N-cyclohexyl-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109364005
N-cyclopropyl-6-(2-methoxyanilino)-2-phenylpyrimidine-4-carboxamide
CID 112851919
N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852793
6-(2-cyanoanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851948
N-cyclopropyl-6-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112851951
N-cycloheptyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109354049
6-(tert-butylamino)-N-(3-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112854283
6-(tert-butylamino)-N-cyclohexyl-2-phenylpyrimidine-4-carboxamide
CID 112853019
N-cyclopropyl-6-(diethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112851882
N-cyclopropyl-5-(3-methylanilino)pyridine-2-carboxamide
CID 109179924

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide (CID 112851897) is N-cyclopropyl-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide is Cc1cccc(Nc2cc(C(=O)NC3CC3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of N-cyclopropyl-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is CQBCQFXZKTVUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-14-6-5-9-17(12-14)22-19-13-18(21(26)23-16-10-11-16)24-20(25-19)15-7-3-2-4-8-15/h2-9,12-13,16H,10-11H2,1H3,(H,23,26)(H,22,24,25).
What are the key properties of N-cyclopropyl-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide?
N-cyclopropyl-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112851897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).