N-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide

C20H19ClN4O — CID 109255747

IUPACN-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCc1ccccc1CNc1ncc(C(=O)Nc2ccc(Cl)cc2C)cn1
InChIInChI=1S/C20H19ClN4O/c1-13-5-3-4-6-15(13)10-22-20-23-11-16(12-24-20)19(26)25-18-8-7-17(21)9-14(18)2/h3-9,11-12H,10H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyKQFQYYBKFAPPPI-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.61
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide

N-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide (PubChem CID 109255747) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide
PubChem CID109255747
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC NameN-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCc1ccccc1CNc1ncc(C(=O)Nc2ccc(Cl)cc2C)cn1
InChIInChI=1S/C20H19ClN4O/c1-13-5-3-4-6-15(13)10-22-20-23-11-16(12-24-20)19(26)25-18-8-7-17(21)9-14(18)2/h3-9,11-12H,10H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyKQFQYYBKFAPPPI-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265407
2-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109263001
N-(4-chloro-2-methylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268395
N-(4-chloro-2-methylphenyl)-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide
CID 109267225
2-[(2-methylphenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109255765
N-[2-(4-chlorophenyl)ethyl]-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255694
N-(5-chloro-2-methoxyphenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155689
N-(4-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-5-carboxamide
CID 109269101
2-(2,4-dichloroanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109267339
N-(4-chloro-2-methylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260157
2-(2,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266433
N-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 108996571

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide (CID 109255747) is N-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide is Cc1ccccc1CNc1ncc(C(=O)Nc2ccc(Cl)cc2C)cn1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The InChIKey is KQFQYYBKFAPPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-13-5-3-4-6-15(13)10-22-20-23-11-16(12-24-20)19(26)25-18-8-7-17(21)9-14(18)2/h3-9,11-12H,10H2,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide?
N-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109255747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).