2-chloro-5-methyl-4-(oxolan-2-ylmethylsulfanyl)pyrimidine

C10H13ClN2OS — CID 106494855

IUPAC2-chloro-5-methyl-4-(oxolan-2-ylmethylsulfanyl)pyrimidine
SMILESCc1cnc(Cl)nc1SCC1CCCO1
InChIInChI=1S/C10H13ClN2OS/c1-7-5-12-10(11)13-9(7)15-6-8-3-2-4-14-8/h5,8H,2-4,6H2,1H3
InChIKeyYLNALAXIUKVJAO-UHFFFAOYSA-N
MW244.75 g/mol
LogP2.71
Rot. Bonds3

About 2-chloro-5-methyl-4-(oxolan-2-ylmethylsulfanyl)pyrimidine

2-chloro-5-methyl-4-(oxolan-2-ylmethylsulfanyl)pyrimidine (PubChem CID 106494855) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-(oxolan-2-ylmethylsulfanyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-methyl-4-(oxolan-2-ylmethylsulfanyl)pyrimidine
PubChem CID106494855
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name2-chloro-5-methyl-4-(oxolan-2-ylmethylsulfanyl)pyrimidine
SMILESCc1cnc(Cl)nc1SCC1CCCO1
InChIInChI=1S/C10H13ClN2OS/c1-7-5-12-10(11)13-9(7)15-6-8-3-2-4-14-8/h5,8H,2-4,6H2,1H3
InChIKeyYLNALAXIUKVJAO-UHFFFAOYSA-N
XLogP2.71
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-methyl-4-(oxolan-2-ylmethylsulfanyl)pyrimidine 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

2-chloro-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidine
CID 106494885
5-chloro-3-fluoro-2-(oxolan-2-ylmethylsulfanyl)pyridine
CID 106495322
5-methyl-6-(oxolan-2-ylmethylsulfanyl)pyridine-3-carbaldehyde
CID 106496473
2-chloro-N-ethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 79075350
3-[[(2R)-oxolan-2-yl]methylsulfanyl]pyrazin-2-amine
CID 130831521
6-chloro-2-(oxolan-2-ylmethylsulfanyl)pyridine-3-carboxylic acid
CID 106493760
N-ethyl-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-amine
CID 106497884
4-chloro-N,N-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine
CID 106494848
5-bromo-6-(oxolan-2-ylmethylsulfanyl)pyridin-3-amine
CID 106494015
3-bromo-2-(oxolan-2-ylmethylsulfanyl)pyridine
CID 103678592
6-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidine-4-carbonitrile
CID 107551519
2-chloro-5-methyl-4-pentylsulfanylpyrimidine
CID 107751108

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-(oxolan-2-ylmethylsulfanyl)pyrimidine?
The IUPAC name of 2-chloro-5-methyl-4-(oxolan-2-ylmethylsulfanyl)pyrimidine (CID 106494855) is 2-chloro-5-methyl-4-(oxolan-2-ylmethylsulfanyl)pyrimidine.
What is the SMILES notation for 2-chloro-5-methyl-4-(oxolan-2-ylmethylsulfanyl)pyrimidine?
The canonical SMILES for 2-chloro-5-methyl-4-(oxolan-2-ylmethylsulfanyl)pyrimidine is Cc1cnc(Cl)nc1SCC1CCCO1.
What is the InChIKey of 2-chloro-5-methyl-4-(oxolan-2-ylmethylsulfanyl)pyrimidine?
The InChIKey is YLNALAXIUKVJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c1-7-5-12-10(11)13-9(7)15-6-8-3-2-4-14-8/h5,8H,2-4,6H2,1H3.
What are the key properties of 2-chloro-5-methyl-4-(oxolan-2-ylmethylsulfanyl)pyrimidine?
2-chloro-5-methyl-4-(oxolan-2-ylmethylsulfanyl)pyrimidine has a molecular weight of 244.75 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-(oxolan-2-ylmethylsulfanyl)pyrimidine is sourced from PubChem (CID 106494855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).