N-[2-(3-chlorophenyl)ethyl]-6-(cyclopentylamino)pyrimidine-4-carboxamide

C18H21ClN4O — CID 109341274

IUPACN-[2-(3-chlorophenyl)ethyl]-6-(cyclopentylamino)pyrimidine-4-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1cc(NC2CCCC2)ncn1
InChIInChI=1S/C18H21ClN4O/c19-14-5-3-4-13(10-14)8-9-20-18(24)16-11-17(22-12-21-16)23-15-6-1-2-7-15/h3-5,10-12,15H,1-2,6-9H2,(H,20,24)(H,21,22,23)
InChIKeyXCVYAXTYHKLQBJ-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.46
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-6-(cyclopentylamino)pyrimidine-4-carboxamide

N-[2-(3-chlorophenyl)ethyl]-6-(cyclopentylamino)pyrimidine-4-carboxamide (PubChem CID 109341274) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-6-(cyclopentylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-6-(cyclopentylamino)pyrimidine-4-carboxamide
PubChem CID109341274
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-6-(cyclopentylamino)pyrimidine-4-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1cc(NC2CCCC2)ncn1
InChIInChI=1S/C18H21ClN4O/c19-14-5-3-4-13(10-14)8-9-20-18(24)16-11-17(22-12-21-16)23-15-6-1-2-7-15/h3-5,10-12,15H,1-2,6-9H2,(H,20,24)(H,21,22,23)
InChIKeyXCVYAXTYHKLQBJ-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

N-[2-(4-chlorophenyl)ethyl]-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341245
N-[2-(3-chlorophenyl)ethyl]-2-(cyclohexylamino)pyridine-4-carboxamide
CID 109166354
6-[2-(3-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350566
N-[2-(3-chlorophenyl)ethyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353519
6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109341235
6-(cyclopentylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109341214
6-(cyclohexylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109341823
N-[2-(3-chlorophenyl)ethyl]-6-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109355479
N-[2-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
CID 109247539
6-(3-chloroanilino)-N-cyclopentylpyrimidine-4-carboxamide
CID 109341488
6-(cycloheptylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109342983
N-[2-(3-chlorophenyl)ethyl]-N'-cyclopentyloxamide
CID 108984045

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-6-(cyclopentylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-6-(cyclopentylamino)pyrimidine-4-carboxamide (CID 109341274) is N-[2-(3-chlorophenyl)ethyl]-6-(cyclopentylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-6-(cyclopentylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-6-(cyclopentylamino)pyrimidine-4-carboxamide is O=C(NCCc1cccc(Cl)c1)c1cc(NC2CCCC2)ncn1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-6-(cyclopentylamino)pyrimidine-4-carboxamide?
The InChIKey is XCVYAXTYHKLQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c19-14-5-3-4-13(10-14)8-9-20-18(24)16-11-17(22-12-21-16)23-15-6-1-2-7-15/h3-5,10-12,15H,1-2,6-9H2,(H,20,24)(H,21,22,23).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-6-(cyclopentylamino)pyrimidine-4-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-6-(cyclopentylamino)pyrimidine-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 N-[2-(3-chlorophenyl)ethyl]-6-(cyclopentylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109341274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).