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

C23H24N4O — CID 112851951

IUPACN-cyclopropyl-6-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-4-carboxamide
SMILESCCN(c1cccc(C)c1)c1cc(C(=O)NC2CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H24N4O/c1-3-27(19-11-7-8-16(2)14-19)21-15-20(23(28)24-18-12-13-18)25-22(26-21)17-9-5-4-6-10-17/h4-11,14-15,18H,3,12-13H2,1-2H3,(H,24,28)
InChIKeyLYIDGLKUBUELEX-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.50
Rot. Bonds6

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

N-cyclopropyl-6-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112851951) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-cyclopropyl-6-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-4-carboxamide
PubChem CID112851951
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-cyclopropyl-6-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-4-carboxamide
SMILESCCN(c1cccc(C)c1)c1cc(C(=O)NC2CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H24N4O/c1-3-27(19-11-7-8-16(2)14-19)21-15-20(23(28)24-18-12-13-18)25-22(26-21)17-9-5-4-6-10-17/h4-11,14-15,18H,3,12-13H2,1-2H3,(H,24,28)
InChIKeyLYIDGLKUBUELEX-UHFFFAOYSA-N
XLogP4.50
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-6-(diethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112851882
N-cyclohexyl-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109364018
N-cyclopropyl-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112851897
4-N-ethyl-6-N-(2-methoxyethyl)-4-N-(3-methylphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112880369
N-[2-(dimethylamino)ethyl]-6-(N-ethyl-3-methylanilino)-2-methylpyrimidine-4-carboxamide
CID 109366329
N-(cyclopropylmethyl)-4-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-5-carboxamide
CID 42822223
N-ethyl-6-(N-ethylanilino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 112849511
N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852793
6-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369741
6-(4-acetylanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851934
N-[2-(dimethylamino)ethyl]-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112853685
N-(1,1-dioxothiolan-3-yl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109260839

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-6-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-4-carboxamide (CID 112851951) is N-cyclopropyl-6-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-6-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-4-carboxamide is CCN(c1cccc(C)c1)c1cc(C(=O)NC2CC2)nc(-c2ccccc2)n1.
What is the InChIKey of N-cyclopropyl-6-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is LYIDGLKUBUELEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-3-27(19-11-7-8-16(2)14-19)21-15-20(23(28)24-18-12-13-18)25-22(26-21)17-9-5-4-6-10-17/h4-11,14-15,18H,3,12-13H2,1-2H3,(H,24,28).
What are the key properties of N-cyclopropyl-6-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-4-carboxamide?
N-cyclopropyl-6-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112851951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).