2-(azetidin-3-ylmethylsulfanylmethyl)-4-chloro-6-methylpyrimidine

C10H14ClN3S — CID 80664038

IUPAC2-(azetidin-3-ylmethylsulfanylmethyl)-4-chloro-6-methylpyrimidine
SMILESCc1cc(Cl)nc(CSCC2CNC2)n1
InChIInChI=1S/C10H14ClN3S/c1-7-2-9(11)14-10(13-7)6-15-5-8-3-12-4-8/h2,8,12H,3-6H2,1H3
InChIKeyMNPGJZFYDGLNIQ-UHFFFAOYSA-N
MW243.76 g/mol
LogP1.89
Rot. Bonds4

About 2-(azetidin-3-ylmethylsulfanylmethyl)-4-chloro-6-methylpyrimidine

2-(azetidin-3-ylmethylsulfanylmethyl)-4-chloro-6-methylpyrimidine (PubChem CID 80664038) has the molecular formula C10H14ClN3S and a molecular weight of 243.76 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethylsulfanylmethyl)-4-chloro-6-methylpyrimidine.

Molecular Properties

Compound Name2-(azetidin-3-ylmethylsulfanylmethyl)-4-chloro-6-methylpyrimidine
PubChem CID80664038
Molecular FormulaC10H14ClN3S
Molecular Weight243.76 g/mol
Exact Mass243.06
IUPAC Name2-(azetidin-3-ylmethylsulfanylmethyl)-4-chloro-6-methylpyrimidine
SMILESCc1cc(Cl)nc(CSCC2CNC2)n1
InChIInChI=1S/C10H14ClN3S/c1-7-2-9(11)14-10(13-7)6-15-5-8-3-12-4-8/h2,8,12H,3-6H2,1H3
InChIKeyMNPGJZFYDGLNIQ-UHFFFAOYSA-N
XLogP1.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butylsulfanylmethyl)-4-chloro-6-methylpyrimidine
CID 80663452
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylazetidin-3-amine
CID 80664747
4-chloro-6-methyl-2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyrimidine
CID 97163214
3-[(2-chloro-4-methylphenyl)methylsulfanylmethyl]azetidine
CID 106864072
6-(azetidin-3-ylmethylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 66290922
2-(azetidin-3-ylmethylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 66290318
3-[(4-methoxyphenyl)methylsulfanylmethyl]azetidine
CID 66289089
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine
CID 80663537
2-(azetidin-3-ylmethylsulfanylmethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 66290130
4-chloro-2-[(3-ethylazetidin-1-yl)methyl]-6-methylpyrimidine
CID 164662191
4-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-6-methylpyrimidine
CID 80663694
1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperazine-2-carboxylic acid
CID 80663815

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethylsulfanylmethyl)-4-chloro-6-methylpyrimidine?
The IUPAC name of 2-(azetidin-3-ylmethylsulfanylmethyl)-4-chloro-6-methylpyrimidine (CID 80664038) is 2-(azetidin-3-ylmethylsulfanylmethyl)-4-chloro-6-methylpyrimidine.
What is the SMILES notation for 2-(azetidin-3-ylmethylsulfanylmethyl)-4-chloro-6-methylpyrimidine?
The canonical SMILES for 2-(azetidin-3-ylmethylsulfanylmethyl)-4-chloro-6-methylpyrimidine is Cc1cc(Cl)nc(CSCC2CNC2)n1.
What is the InChIKey of 2-(azetidin-3-ylmethylsulfanylmethyl)-4-chloro-6-methylpyrimidine?
The InChIKey is MNPGJZFYDGLNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3S/c1-7-2-9(11)14-10(13-7)6-15-5-8-3-12-4-8/h2,8,12H,3-6H2,1H3.
What are the key properties of 2-(azetidin-3-ylmethylsulfanylmethyl)-4-chloro-6-methylpyrimidine?
2-(azetidin-3-ylmethylsulfanylmethyl)-4-chloro-6-methylpyrimidine has a molecular weight of 243.76 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethylsulfanylmethyl)-4-chloro-6-methylpyrimidine is sourced from PubChem (CID 80664038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).