4-amino-2-benzylsulfanyl-5-pyrrolidin-1-yl-1H-pyrimidin-6-one

C15H18N4OS — CID 135476467

IUPAC4-amino-2-benzylsulfanyl-5-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESNc1nc(SCc2ccccc2)[nH]c(=O)c1N1CCCC1
InChIInChI=1S/C15H18N4OS/c16-13-12(19-8-4-5-9-19)14(20)18-15(17-13)21-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H3,16,17,18,20)
InChIKeyDNMFKNGRMNHLSY-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.24
Rot. Bonds4

About 4-amino-2-benzylsulfanyl-5-pyrrolidin-1-yl-1H-pyrimidin-6-one

4-amino-2-benzylsulfanyl-5-pyrrolidin-1-yl-1H-pyrimidin-6-one (PubChem CID 135476467) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-amino-2-benzylsulfanyl-5-pyrrolidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-benzylsulfanyl-5-pyrrolidin-1-yl-1H-pyrimidin-6-one
PubChem CID135476467
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name4-amino-2-benzylsulfanyl-5-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESNc1nc(SCc2ccccc2)[nH]c(=O)c1N1CCCC1
InChIInChI=1S/C15H18N4OS/c16-13-12(19-8-4-5-9-19)14(20)18-15(17-13)21-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H3,16,17,18,20)
InChIKeyDNMFKNGRMNHLSY-UHFFFAOYSA-N
XLogP2.24
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-2-benzylsulfanyl-5-pyrrolidin-1-yl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-benzylsulfanyl-5-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-benzylsulfanyl-5-pyrrolidin-1-yl-1H-pyrimidin-6-one (CID 135476467) is 4-amino-2-benzylsulfanyl-5-pyrrolidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-benzylsulfanyl-5-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-benzylsulfanyl-5-pyrrolidin-1-yl-1H-pyrimidin-6-one is Nc1nc(SCc2ccccc2)[nH]c(=O)c1N1CCCC1.
What is the InChIKey of 4-amino-2-benzylsulfanyl-5-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is DNMFKNGRMNHLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c16-13-12(19-8-4-5-9-19)14(20)18-15(17-13)21-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H3,16,17,18,20).
What are the key properties of 4-amino-2-benzylsulfanyl-5-pyrrolidin-1-yl-1H-pyrimidin-6-one?
4-amino-2-benzylsulfanyl-5-pyrrolidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 302.40 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-benzylsulfanyl-5-pyrrolidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135476467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).