6-[2-(3-chlorophenyl)ethylamino]-N-(3-methylphenyl)pyrimidine-4-carboxamide

C20H19ClN4O — CID 109355427

IUPAC6-[2-(3-chlorophenyl)ethylamino]-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(NCCc3cccc(Cl)c3)ncn2)c1
InChIInChI=1S/C20H19ClN4O/c1-14-4-2-7-17(10-14)25-20(26)18-12-19(24-13-23-18)22-9-8-15-5-3-6-16(21)11-15/h2-7,10-13H,8-9H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyCSQQHSRGKYFUHN-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.35
Rot. Bonds6

About 6-[2-(3-chlorophenyl)ethylamino]-N-(3-methylphenyl)pyrimidine-4-carboxamide

6-[2-(3-chlorophenyl)ethylamino]-N-(3-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109355427) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 6-[2-(3-chlorophenyl)ethylamino]-N-(3-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(3-chlorophenyl)ethylamino]-N-(3-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109355427
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name6-[2-(3-chlorophenyl)ethylamino]-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(NCCc3cccc(Cl)c3)ncn2)c1
InChIInChI=1S/C20H19ClN4O/c1-14-4-2-7-17(10-14)25-20(26)18-12-19(24-13-23-18)22-9-8-15-5-3-6-16(21)11-15/h2-7,10-13H,8-9H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyCSQQHSRGKYFUHN-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

6-[2-(4-fluorophenyl)ethylamino]-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109351026
N-(3-chlorophenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347330
6-[2-(3-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350566
N-(3-chlorophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351198
N-(3-methylphenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347311
6-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109342563
6-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109352342
N-(3-chlorophenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340306
6-[2-(3-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109351304
6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide
CID 109351301
6-[2-(3-chlorophenyl)ethylamino]-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348414
6-[2-(3-chlorophenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109349168

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chlorophenyl)ethylamino]-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(3-chlorophenyl)ethylamino]-N-(3-methylphenyl)pyrimidine-4-carboxamide (CID 109355427) is 6-[2-(3-chlorophenyl)ethylamino]-N-(3-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(3-chlorophenyl)ethylamino]-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(3-chlorophenyl)ethylamino]-N-(3-methylphenyl)pyrimidine-4-carboxamide is Cc1cccc(NC(=O)c2cc(NCCc3cccc(Cl)c3)ncn2)c1.
What is the InChIKey of 6-[2-(3-chlorophenyl)ethylamino]-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is CSQQHSRGKYFUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-14-4-2-7-17(10-14)25-20(26)18-12-19(24-13-23-18)22-9-8-15-5-3-6-16(21)11-15/h2-7,10-13H,8-9H2,1H3,(H,25,26)(H,22,23,24).
What are the key properties of 6-[2-(3-chlorophenyl)ethylamino]-N-(3-methylphenyl)pyrimidine-4-carboxamide?
6-[2-(3-chlorophenyl)ethylamino]-N-(3-methylphenyl)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 6-[2-(3-chlorophenyl)ethylamino]-N-(3-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109355427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).