N-(4-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carboxamide

C20H23ClN4O — CID 109299408

IUPACN-(4-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccnc(NCCC2=CCCCC2)n1
InChIInChI=1S/C20H23ClN4O/c1-14-13-16(21)7-8-17(14)24-19(26)18-10-12-23-20(25-18)22-11-9-15-5-3-2-4-6-15/h5,7-8,10,12-13H,2-4,6,9,11H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyLRINLMFLDFGHQT-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.99
Rot. Bonds6

About N-(4-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carboxamide

N-(4-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carboxamide (PubChem CID 109299408) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carboxamide
PubChem CID109299408
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC NameN-(4-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccnc(NCCC2=CCCCC2)n1
InChIInChI=1S/C20H23ClN4O/c1-14-13-16(21)7-8-17(14)24-19(26)18-10-12-23-20(25-18)22-11-9-15-5-3-2-4-6-15/h5,7-8,10,12-13H,2-4,6,9,11H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyLRINLMFLDFGHQT-UHFFFAOYSA-N
XLogP4.99
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109299391
2-N-(4-chloro-2-methylphenyl)-4-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-2,4-diamine
CID 112885469
2-[2-(cyclohexen-1-yl)ethylamino]-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109299423
2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109299415
2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109299424
2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109299417
2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109299371
5-N-(4-chloro-2-methylphenyl)-3-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109103367
N-(4-cyanophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carboxamide
CID 109299453
2-[(4-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109305976
2-(butylamino)-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4-carboxamide
CID 109296312
2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-difluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109323362

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carboxamide (CID 109299408) is N-(4-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1ccnc(NCCC2=CCCCC2)n1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carboxamide?
The InChIKey is LRINLMFLDFGHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c1-14-13-16(21)7-8-17(14)24-19(26)18-10-12-23-20(25-18)22-11-9-15-5-3-2-4-6-15/h5,7-8,10,12-13H,2-4,6,9,11H2,1H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carboxamide?
N-(4-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 4.99, 6 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-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109299408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).