4-[4-chloro-6-(cyclopentylamino)-2-methylpyrimidin-5-yl]benzamide

C17H19ClN4O — CID 59405066

IUPAC4-[4-chloro-6-(cyclopentylamino)-2-methylpyrimidin-5-yl]benzamide
SMILESCc1nc(Cl)c(-c2ccc(C(N)=O)cc2)c(NC2CCCC2)n1
InChIInChI=1S/C17H19ClN4O/c1-10-20-15(18)14(11-6-8-12(9-7-11)16(19)23)17(21-10)22-13-4-2-3-5-13/h6-9,13H,2-5H2,1H3,(H2,19,23)(H,20,21,22)
InChIKeyBXKOCLQFCDMWGT-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.56
Rot. Bonds4

About 4-[4-chloro-6-(cyclopentylamino)-2-methylpyrimidin-5-yl]benzamide

4-[4-chloro-6-(cyclopentylamino)-2-methylpyrimidin-5-yl]benzamide (PubChem CID 59405066) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is 4-[4-chloro-6-(cyclopentylamino)-2-methylpyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name4-[4-chloro-6-(cyclopentylamino)-2-methylpyrimidin-5-yl]benzamide
PubChem CID59405066
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name4-[4-chloro-6-(cyclopentylamino)-2-methylpyrimidin-5-yl]benzamide
SMILESCc1nc(Cl)c(-c2ccc(C(N)=O)cc2)c(NC2CCCC2)n1
InChIInChI=1S/C17H19ClN4O/c1-10-20-15(18)14(11-6-8-12(9-7-11)16(19)23)17(21-10)22-13-4-2-3-5-13/h6-9,13H,2-5H2,1H3,(H2,19,23)(H,20,21,22)
InChIKeyBXKOCLQFCDMWGT-UHFFFAOYSA-N
XLogP3.56
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(cyclopentylamino)-2-methylpyrimidin-5-yl]benzamide?
The IUPAC name of 4-[4-chloro-6-(cyclopentylamino)-2-methylpyrimidin-5-yl]benzamide (CID 59405066) is 4-[4-chloro-6-(cyclopentylamino)-2-methylpyrimidin-5-yl]benzamide.
What is the SMILES notation for 4-[4-chloro-6-(cyclopentylamino)-2-methylpyrimidin-5-yl]benzamide?
The canonical SMILES for 4-[4-chloro-6-(cyclopentylamino)-2-methylpyrimidin-5-yl]benzamide is Cc1nc(Cl)c(-c2ccc(C(N)=O)cc2)c(NC2CCCC2)n1.
What is the InChIKey of 4-[4-chloro-6-(cyclopentylamino)-2-methylpyrimidin-5-yl]benzamide?
The InChIKey is BXKOCLQFCDMWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c1-10-20-15(18)14(11-6-8-12(9-7-11)16(19)23)17(21-10)22-13-4-2-3-5-13/h6-9,13H,2-5H2,1H3,(H2,19,23)(H,20,21,22).
What are the key properties of 4-[4-chloro-6-(cyclopentylamino)-2-methylpyrimidin-5-yl]benzamide?
4-[4-chloro-6-(cyclopentylamino)-2-methylpyrimidin-5-yl]benzamide has a molecular weight of 330.82 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-6-(cyclopentylamino)-2-methylpyrimidin-5-yl]benzamide is sourced from PubChem (CID 59405066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).