2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyrimidine-4-carboxamide

C18H21ClN4O — CID 109298111

IUPAC2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyrimidine-4-carboxamide
SMILESO=C(NC1CCCC1)c1ccnc(NCCc2cccc(Cl)c2)n1
InChIInChI=1S/C18H21ClN4O/c19-14-5-3-4-13(12-14)8-10-20-18-21-11-9-16(23-18)17(24)22-15-6-1-2-7-15/h3-5,9,11-12,15H,1-2,6-8,10H2,(H,22,24)(H,20,21,23)
InChIKeyVXBYRGYHRBYDRF-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.46
Rot. Bonds6

About 2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyrimidine-4-carboxamide

2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyrimidine-4-carboxamide (PubChem CID 109298111) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyrimidine-4-carboxamide
PubChem CID109298111
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyrimidine-4-carboxamide
SMILESO=C(NC1CCCC1)c1ccnc(NCCc2cccc(Cl)c2)n1
InChIInChI=1S/C18H21ClN4O/c19-14-5-3-4-13(12-14)8-10-20-18-21-11-9-16(23-18)17(24)22-15-6-1-2-7-15/h3-5,9,11-12,15H,1-2,6-8,10H2,(H,22,24)(H,20,21,23)
InChIKeyVXBYRGYHRBYDRF-UHFFFAOYSA-N
XLogP3.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322171
5-[2-(3-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide
CID 109182977
6-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyridazine-3-carboxamide
CID 109112342
2-[2-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109313125
2-(benzylamino)-N-cycloheptylpyrimidine-4-carboxamide
CID 109303634
N-cyclopentyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109298072
2-[2-(3-chlorophenyl)ethylamino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109313099
2-[2-(3-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide
CID 109247342
2-[2-(3-chlorophenyl)ethylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109313098
N-cyclopentyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109294728
N-[2-(3-chlorophenyl)ethyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311741
4-N-[2-(3-chlorophenyl)ethyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078681

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyrimidine-4-carboxamide?
The IUPAC name of 2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyrimidine-4-carboxamide (CID 109298111) is 2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyrimidine-4-carboxamide is O=C(NC1CCCC1)c1ccnc(NCCc2cccc(Cl)c2)n1.
What is the InChIKey of 2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyrimidine-4-carboxamide?
The InChIKey is VXBYRGYHRBYDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c19-14-5-3-4-13(12-14)8-10-20-18-21-11-9-16(23-18)17(24)22-15-6-1-2-7-15/h3-5,9,11-12,15H,1-2,6-8,10H2,(H,22,24)(H,20,21,23).
What are the key properties of 2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyrimidine-4-carboxamide?
2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyrimidine-4-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyrimidine-4-carboxamide is sourced from PubChem (CID 109298111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).