[2-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]-phenylmethanone

C20H24N4O — CID 110271735

IUPAC[2-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]-phenylmethanone
SMILESCc1nc(NC2CCCC2)cc(C2CCN2C(=O)c2ccccc2)n1
InChIInChI=1S/C20H24N4O/c1-14-21-17(13-19(22-14)23-16-9-5-6-10-16)18-11-12-24(18)20(25)15-7-3-2-4-8-15/h2-4,7-8,13,16,18H,5-6,9-12H2,1H3,(H,21,22,23)
InChIKeyXECKKJKUVDYYIB-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.73
Rot. Bonds4

About [2-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]-phenylmethanone

[2-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]-phenylmethanone (PubChem CID 110271735) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is [2-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]-phenylmethanone
PubChem CID110271735
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name[2-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]-phenylmethanone
SMILESCc1nc(NC2CCCC2)cc(C2CCN2C(=O)c2ccccc2)n1
InChIInChI=1S/C20H24N4O/c1-14-21-17(13-19(22-14)23-16-9-5-6-10-16)18-11-12-24(18)20(25)15-7-3-2-4-8-15/h2-4,7-8,13,16,18H,5-6,9-12H2,1H3,(H,21,22,23)
InChIKeyXECKKJKUVDYYIB-UHFFFAOYSA-N
XLogP3.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]-phenylmethanone?
The IUPAC name of [2-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]-phenylmethanone (CID 110271735) is [2-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]-phenylmethanone.
What is the SMILES notation for [2-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]-phenylmethanone?
The canonical SMILES for [2-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]-phenylmethanone is Cc1nc(NC2CCCC2)cc(C2CCN2C(=O)c2ccccc2)n1.
What is the InChIKey of [2-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]-phenylmethanone?
The InChIKey is XECKKJKUVDYYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-21-17(13-19(22-14)23-16-9-5-6-10-16)18-11-12-24(18)20(25)15-7-3-2-4-8-15/h2-4,7-8,13,16,18H,5-6,9-12H2,1H3,(H,21,22,23).
What are the key properties of [2-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]-phenylmethanone?
[2-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]-phenylmethanone has a molecular weight of 336.44 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]-phenylmethanone is sourced from PubChem (CID 110271735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).