4-chloro-6-methyl-2-(pyrrolidin-2-ylmethylsulfinyl)pyrimidine

C10H14ClN3OS — CID 71639195

IUPAC4-chloro-6-methyl-2-(pyrrolidin-2-ylmethylsulfinyl)pyrimidine
SMILESCc1cc(Cl)nc(S(=O)CC2CCCN2)n1
InChIInChI=1S/C10H14ClN3OS/c1-7-5-9(11)14-10(13-7)16(15)6-8-3-2-4-12-8/h5,8,12H,2-4,6H2,1H3
InChIKeyOZVXFSBSHVTNIP-UHFFFAOYSA-N
MW259.76 g/mol
LogP1.30
Rot. Bonds3

About 4-chloro-6-methyl-2-(pyrrolidin-2-ylmethylsulfinyl)pyrimidine

4-chloro-6-methyl-2-(pyrrolidin-2-ylmethylsulfinyl)pyrimidine (PubChem CID 71639195) has the molecular formula C10H14ClN3OS and a molecular weight of 259.76 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-(pyrrolidin-2-ylmethylsulfinyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-(pyrrolidin-2-ylmethylsulfinyl)pyrimidine
PubChem CID71639195
Molecular FormulaC10H14ClN3OS
Molecular Weight259.76 g/mol
Exact Mass259.05
IUPAC Name4-chloro-6-methyl-2-(pyrrolidin-2-ylmethylsulfinyl)pyrimidine
SMILESCc1cc(Cl)nc(S(=O)CC2CCCN2)n1
InChIInChI=1S/C10H14ClN3OS/c1-7-5-9(11)14-10(13-7)16(15)6-8-3-2-4-12-8/h5,8,12H,2-4,6H2,1H3
InChIKeyOZVXFSBSHVTNIP-UHFFFAOYSA-N
XLogP1.30
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-methyl-2-[(S)-piperidin-4-ylmethylsulfinyl]pyrimidine
CID 97163199
4-chloro-6-methyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 71638479
4-chloro-6-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CID 97163210
4-chloro-6-methyl-2-[(S)-piperidin-4-ylsulfinyl]pyrimidine
CID 97163181
4,6-dimethyl-2-[(S)-[(3S)-piperidin-3-yl]methylsulfinyl]pyrimidine
CID 97162795
4,6-dimethyl-2-(pyrrolidin-3-ylmethylsulfinyl)pyrimidine;hydrochloride
CID 71638379
2-chloro-4-[(S)-[(2R)-pyrrolidin-2-yl]methylsulfinyl]pyrimidine
CID 97163785
4-chloro-6-methyl-2-methylsulfinylpyrimidine
CID 156832139
2-chloro-6-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 97162852
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615398
tert-butyl 2-[(4-chloro-6-methylpyrimidin-2-yl)sulfinylmethyl]piperidine-1-carboxylate
CID 71634761
2-bromo-6-(pyrrolidin-2-ylmethylsulfinyl)pyridine;hydrochloride
CID 71636431

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-(pyrrolidin-2-ylmethylsulfinyl)pyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-(pyrrolidin-2-ylmethylsulfinyl)pyrimidine (CID 71639195) is 4-chloro-6-methyl-2-(pyrrolidin-2-ylmethylsulfinyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-(pyrrolidin-2-ylmethylsulfinyl)pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-(pyrrolidin-2-ylmethylsulfinyl)pyrimidine is Cc1cc(Cl)nc(S(=O)CC2CCCN2)n1.
What is the InChIKey of 4-chloro-6-methyl-2-(pyrrolidin-2-ylmethylsulfinyl)pyrimidine?
The InChIKey is OZVXFSBSHVTNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3OS/c1-7-5-9(11)14-10(13-7)16(15)6-8-3-2-4-12-8/h5,8,12H,2-4,6H2,1H3.
What are the key properties of 4-chloro-6-methyl-2-(pyrrolidin-2-ylmethylsulfinyl)pyrimidine?
4-chloro-6-methyl-2-(pyrrolidin-2-ylmethylsulfinyl)pyrimidine has a molecular weight of 259.76 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-(pyrrolidin-2-ylmethylsulfinyl)pyrimidine is sourced from PubChem (CID 71639195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).