2-(benzylamino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

C14H15N3O — CID 135513632

IUPAC2-(benzylamino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESO=c1[nH]c(NCc2ccccc2)nc2c1CCC2
InChIInChI=1S/C14H15N3O/c18-13-11-7-4-8-12(11)16-14(17-13)15-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H2,15,16,17,18)
InChIKeyVJLBYLLJMJWOFC-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.87
Rot. Bonds3

About 2-(benzylamino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

2-(benzylamino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 135513632) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(benzylamino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(benzylamino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID135513632
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-(benzylamino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESO=c1[nH]c(NCc2ccccc2)nc2c1CCC2
InChIInChI=1S/C14H15N3O/c18-13-11-7-4-8-12(11)16-14(17-13)15-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H2,15,16,17,18)
InChIKeyVJLBYLLJMJWOFC-UHFFFAOYSA-N
XLogP1.87
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-(benzylamino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 135513632) is 2-(benzylamino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-(benzylamino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-(benzylamino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is O=c1[nH]c(NCc2ccccc2)nc2c1CCC2.
What is the InChIKey of 2-(benzylamino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is VJLBYLLJMJWOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c18-13-11-7-4-8-12(11)16-14(17-13)15-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H2,15,16,17,18).
What are the key properties of 2-(benzylamino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-(benzylamino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 241.29 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 135513632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).