N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide

C21H22N4O — CID 109307786

IUPACN-(2,3-dimethylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2ccnc(NCCc3ccccc3)n2)c1C
InChIInChI=1S/C21H22N4O/c1-15-7-6-10-18(16(15)2)24-20(26)19-12-14-23-21(25-19)22-13-11-17-8-4-3-5-9-17/h3-10,12,14H,11,13H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyVPHPZDCZCYOIAC-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.00
Rot. Bonds6

About N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide

N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide (PubChem CID 109307786) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
PubChem CID109307786
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(2,3-dimethylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2ccnc(NCCc3ccccc3)n2)c1C
InChIInChI=1S/C21H22N4O/c1-15-7-6-10-18(16(15)2)24-20(26)19-12-14-23-21(25-19)22-13-11-17-8-4-3-5-9-17/h3-10,12,14H,11,13H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyVPHPZDCZCYOIAC-UHFFFAOYSA-N
XLogP4.00
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307803
N-(2,3-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303964
N-(2-bromophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307837
2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109299391
N-(2,3-dimethylphenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191893
N-(3-chloro-2-methylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308845
N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109305549
N-(2-ethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109310966
2-[2-(3-chlorophenyl)ethylamino]-N-(2,3-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334305
2-[2-(3-chlorophenyl)ethylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109313098
N-(2,4-dimethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109310960
N-(2-tert-butylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109310973

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide (CID 109307786) is N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide is Cc1cccc(NC(=O)c2ccnc(NCCc3ccccc3)n2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
The InChIKey is VPHPZDCZCYOIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-7-6-10-18(16(15)2)24-20(26)19-12-14-23-21(25-19)22-13-11-17-8-4-3-5-9-17/h3-10,12,14H,11,13H2,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109307786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).