N-(3-chloro-2-methylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide

C20H19ClN4O — CID 109307803

IUPACN-(3-chloro-2-methylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccnc(NCCc2ccccc2)n1
InChIInChI=1S/C20H19ClN4O/c1-14-16(21)8-5-9-17(14)24-19(26)18-11-13-23-20(25-18)22-12-10-15-6-3-2-4-7-15/h2-9,11,13H,10,12H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyHKIXIDRXQIJETK-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.35
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide

N-(3-chloro-2-methylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide (PubChem CID 109307803) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
PubChem CID109307803
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccnc(NCCc2ccccc2)n1
InChIInChI=1S/C20H19ClN4O/c1-14-16(21)8-5-9-17(14)24-19(26)18-11-13-23-20(25-18)22-12-10-15-6-3-2-4-7-15/h2-9,11,13H,10,12H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyHKIXIDRXQIJETK-UHFFFAOYSA-N
XLogP4.35
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307786
N-(3-chloro-2-methylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308845
N-(2-bromophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307837
6-N-(3-chloro-2-methylphenyl)-2-N-(2-phenylethyl)pyridine-2,6-dicarboxamide
CID 109098456
2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109316704
2-(3-chloro-2-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109311058
N-(3-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306395
2-[2-(3-chlorophenyl)ethylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109313098
N-(4-chlorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307802
N-(2-ethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109310966
N-(2-tert-butylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109310973
N-(3-chloro-2-methylphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158236

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide (CID 109307803) is N-(3-chloro-2-methylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide is Cc1c(Cl)cccc1NC(=O)c1ccnc(NCCc2ccccc2)n1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
The InChIKey is HKIXIDRXQIJETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-14-16(21)8-5-9-17(14)24-19(26)18-11-13-23-20(25-18)22-12-10-15-6-3-2-4-7-15/h2-9,11,13H,10,12H2,1H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
N-(3-chloro-2-methylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109307803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).