N-[2-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide

C16H17ClN4O — CID 109247539

IUPACN-[2-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1cnc(NC2CC2)nc1
InChIInChI=1S/C16H17ClN4O/c17-13-3-1-2-11(8-13)6-7-18-15(22)12-9-19-16(20-10-12)21-14-4-5-14/h1-3,8-10,14H,4-7H2,(H,18,22)(H,19,20,21)
InChIKeyXICMENGTACSVKN-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.68
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide

N-[2-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide (PubChem CID 109247539) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
PubChem CID109247539
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1cnc(NC2CC2)nc1
InChIInChI=1S/C16H17ClN4O/c17-13-3-1-2-11(8-13)6-7-18-15(22)12-9-19-16(20-10-12)21-14-4-5-14/h1-3,8-10,14H,4-7H2,(H,18,22)(H,19,20,21)
InChIKeyXICMENGTACSVKN-UHFFFAOYSA-N
XLogP2.68
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide
CID 109247342
2-(4-chloroanilino)-N-[2-(3-chlorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109264775
N-[2-(3-chlorophenyl)ethyl]-2-(cyclohexylamino)pyridine-4-carboxamide
CID 109166354
2-(3-chloroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259442
N-[2-(3-chlorophenyl)ethyl]-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109264772
N-[2-(3-chlorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256254
4-N-[2-(3-chlorophenyl)ethyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078681
N-[2-(3-chlorophenyl)ethyl]-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256521
N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109264764
N-(3-chlorophenyl)-2-(cycloheptylamino)pyrimidine-5-carboxamide
CID 109263215
N-[2-(3-chlorophenyl)ethyl]-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341274
N-[2-(3-chlorophenyl)ethyl]-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109264776

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide (CID 109247539) is N-[2-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide is O=C(NCCc1cccc(Cl)c1)c1cnc(NC2CC2)nc1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide?
The InChIKey is XICMENGTACSVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c17-13-3-1-2-11(8-13)6-7-18-15(22)12-9-19-16(20-10-12)21-14-4-5-14/h1-3,8-10,14H,4-7H2,(H,18,22)(H,19,20,21).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide has a molecular weight of 316.79 g/mol, XLogP of 2.68, 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]-2-(cyclopropylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109247539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).