N-(3-chlorophenyl)-6-methyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide

C20H19ClN4O — CID 109328055

IUPACN-(3-chlorophenyl)-6-methyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(Cl)c2)nc(NC(C)c2ccccc2)n1
InChIInChI=1S/C20H19ClN4O/c1-13-11-18(19(26)24-17-10-6-9-16(21)12-17)25-20(22-13)23-14(2)15-7-4-3-5-8-15/h3-12,14H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyXREQZOREPVRJNQ-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.86
Rot. Bonds5

About N-(3-chlorophenyl)-6-methyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide

N-(3-chlorophenyl)-6-methyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide (PubChem CID 109328055) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-methyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-methyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
PubChem CID109328055
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC NameN-(3-chlorophenyl)-6-methyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(Cl)c2)nc(NC(C)c2ccccc2)n1
InChIInChI=1S/C20H19ClN4O/c1-13-11-18(19(26)24-17-10-6-9-16(21)12-17)25-20(22-13)23-14(2)15-7-4-3-5-8-15/h3-12,14H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyXREQZOREPVRJNQ-UHFFFAOYSA-N
XLogP4.86
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109336543
N-(3-chloro-4-fluorophenyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319375
2-(3-chloroanilino)-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337037
N-(3-acetylphenyl)-2-(3-chloroanilino)-6-methylpyrimidine-4-carboxamide
CID 109337049
N-(3-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156138
N-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109324937
2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334524
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
N-(3-chlorophenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide
CID 109326853
2-methyl-N-phenyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109369164
2-(3-chloroanilino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336307
N-(3-chlorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330950

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-methyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-6-methyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide (CID 109328055) is N-(3-chlorophenyl)-6-methyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-6-methyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-6-methyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2cccc(Cl)c2)nc(NC(C)c2ccccc2)n1.
What is the InChIKey of N-(3-chlorophenyl)-6-methyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide?
The InChIKey is XREQZOREPVRJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-13-11-18(19(26)24-17-10-6-9-16(21)12-17)25-20(22-13)23-14(2)15-7-4-3-5-8-15/h3-12,14H,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(3-chlorophenyl)-6-methyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide?
N-(3-chlorophenyl)-6-methyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-methyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109328055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).