4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one

C11H19N3OS — CID 136723623

IUPAC4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one
SMILESCSCCCCCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C11H19N3OS/c1-16-7-5-3-2-4-6-12-10-8-11(15)14-9-13-10/h8-9H,2-7H2,1H3,(H2,12,13,14,15)
InChIKeyPGWKFKYRQCKPAY-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.11
Rot. Bonds8

About 4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one

4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one (PubChem CID 136723623) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one
PubChem CID136723623
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one
SMILESCSCCCCCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C11H19N3OS/c1-16-7-5-3-2-4-6-12-10-8-11(15)14-9-13-10/h8-9H,2-7H2,1H3,(H2,12,13,14,15)
InChIKeyPGWKFKYRQCKPAY-UHFFFAOYSA-N
XLogP2.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(6-methylsulfanylhexylamino)-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

Related Compounds

6-Pentylsulfanylpyrimidin-4(3h)-one
CID 129768382
4-(octylamino)-1H-pyrimidin-6-one
CID 136333761
4-(butylamino)-5-methylsulfanyl-1H-pyrimidin-6-one
CID 173528036
2-methyl-4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one
CID 136723617
4-(6-methylsulfanylhexylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136723619
5-iodo-4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one
CID 136723621
4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730582
4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136762580
4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one
CID 136762590
4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136762598
4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136762607
4-[(1-methylsulfanylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136762618

Frequently Asked Questions

What is the IUPAC name of 4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one (CID 136723623) is 4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one is CSCCCCCCNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one?
The InChIKey is PGWKFKYRQCKPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-16-7-5-3-2-4-6-12-10-8-11(15)14-9-13-10/h8-9H,2-7H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one?
4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one has a molecular weight of 241.36 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136723623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).