1-benzyl-4-(cyclopentylamino)-5-methylpyrimidin-2-one

C17H21N3O — CID 155538095

IUPAC1-benzyl-4-(cyclopentylamino)-5-methylpyrimidin-2-one
SMILESCc1cn(Cc2ccccc2)c(=O)nc1NC1CCCC1
InChIInChI=1S/C17H21N3O/c1-13-11-20(12-14-7-3-2-4-8-14)17(21)19-16(13)18-15-9-5-6-10-15/h2-4,7-8,11,15H,5-6,9-10,12H2,1H3,(H,18,19,21)
InChIKeyAYFNFTBCPCGKAY-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.95
Rot. Bonds4

About 1-benzyl-4-(cyclopentylamino)-5-methylpyrimidin-2-one

1-benzyl-4-(cyclopentylamino)-5-methylpyrimidin-2-one (PubChem CID 155538095) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-benzyl-4-(cyclopentylamino)-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-(cyclopentylamino)-5-methylpyrimidin-2-one
PubChem CID155538095
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-benzyl-4-(cyclopentylamino)-5-methylpyrimidin-2-one
SMILESCc1cn(Cc2ccccc2)c(=O)nc1NC1CCCC1
InChIInChI=1S/C17H21N3O/c1-13-11-20(12-14-7-3-2-4-8-14)17(21)19-16(13)18-15-9-5-6-10-15/h2-4,7-8,11,15H,5-6,9-10,12H2,1H3,(H,18,19,21)
InChIKeyAYFNFTBCPCGKAY-UHFFFAOYSA-N
XLogP2.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(cyclopentylamino)-5-methylpyrimidin-2-one?
The IUPAC name of 1-benzyl-4-(cyclopentylamino)-5-methylpyrimidin-2-one (CID 155538095) is 1-benzyl-4-(cyclopentylamino)-5-methylpyrimidin-2-one.
What is the SMILES notation for 1-benzyl-4-(cyclopentylamino)-5-methylpyrimidin-2-one?
The canonical SMILES for 1-benzyl-4-(cyclopentylamino)-5-methylpyrimidin-2-one is Cc1cn(Cc2ccccc2)c(=O)nc1NC1CCCC1.
What is the InChIKey of 1-benzyl-4-(cyclopentylamino)-5-methylpyrimidin-2-one?
The InChIKey is AYFNFTBCPCGKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13-11-20(12-14-7-3-2-4-8-14)17(21)19-16(13)18-15-9-5-6-10-15/h2-4,7-8,11,15H,5-6,9-10,12H2,1H3,(H,18,19,21).
What are the key properties of 1-benzyl-4-(cyclopentylamino)-5-methylpyrimidin-2-one?
1-benzyl-4-(cyclopentylamino)-5-methylpyrimidin-2-one has a molecular weight of 283.38 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(cyclopentylamino)-5-methylpyrimidin-2-one is sourced from PubChem (CID 155538095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).