3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol

C11H15ClN2OS — CID 80978828

IUPAC3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol
SMILESCc1c(Cl)nc(C2CC2)nc1SCCCO
InChIInChI=1S/C11H15ClN2OS/c1-7-9(12)13-10(8-3-4-8)14-11(7)16-6-2-5-15/h8,15H,2-6H2,1H3
InChIKeyYBBMBFOZKBLSQN-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.79
Rot. Bonds5

About 3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol

3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol (PubChem CID 80978828) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol
PubChem CID80978828
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol
SMILESCc1c(Cl)nc(C2CC2)nc1SCCCO
InChIInChI=1S/C11H15ClN2OS/c1-7-9(12)13-10(8-3-4-8)14-11(7)16-6-2-5-15/h8,15H,2-6H2,1H3
InChIKeyYBBMBFOZKBLSQN-UHFFFAOYSA-N
XLogP2.79
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol 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-butylsulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80990882
2-cyclopropyl-N-ethyl-5-methyl-6-pentylsulfanylpyrimidin-4-amine
CID 107765323
5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-3-ethyl-1,2,4-thiadiazole
CID 80975528
4-chloro-2-(4-ethylcyclohexyl)-5,6-dimethylpyrimidine
CID 65393714
2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80972466
4-chloro-2-cyclopropyl-6-(2,2-difluoroethoxy)-5-methylpyrimidine
CID 82004865
(4,6-dichloro-2-cyclopropylpyrimidin-5-yl)methanol
CID 46941488
(2-cyclopropyl-5-methyl-6-propylsulfanylpyrimidin-4-yl)hydrazine
CID 81000764
2-cyclopropyl-6-ethylsulfanyl-5-methylpyrimidin-4-amine
CID 80991192
1,7-dicyclopropyl-5-(3-hydroxypropylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione
CID 31205976
2-cyclopropyl-4-hexylsulfanyl-6-methylpyrimidine-5-carboxylic acid
CID 43514427
3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol
CID 80995079

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol?
The IUPAC name of 3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol (CID 80978828) is 3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol.
What is the SMILES notation for 3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol?
The canonical SMILES for 3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol is Cc1c(Cl)nc(C2CC2)nc1SCCCO.
What is the InChIKey of 3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol?
The InChIKey is YBBMBFOZKBLSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-7-9(12)13-10(8-3-4-8)14-11(7)16-6-2-5-15/h8,15H,2-6H2,1H3.
What are the key properties of 3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol?
3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol has a molecular weight of 258.77 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol is sourced from PubChem (CID 80978828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).