4-methyl-2-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine

C10H15N3S — CID 62371819

IUPAC4-methyl-2-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine
SMILESCc1ccnc(SCC2CCNC2)n1
InChIInChI=1S/C10H15N3S/c1-8-2-5-12-10(13-8)14-7-9-3-4-11-6-9/h2,5,9,11H,3-4,6-7H2,1H3
InChIKeyLDNGGDFGSNAOJD-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.49
Rot. Bonds3

About 4-methyl-2-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine

4-methyl-2-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine (PubChem CID 62371819) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 4-methyl-2-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine
PubChem CID62371819
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name4-methyl-2-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine
SMILESCc1ccnc(SCC2CCNC2)n1
InChIInChI=1S/C10H15N3S/c1-8-2-5-12-10(13-8)14-7-9-3-4-11-6-9/h2,5,9,11H,3-4,6-7H2,1H3
InChIKeyLDNGGDFGSNAOJD-UHFFFAOYSA-N
XLogP1.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(2-piperidin-4-ylethylsulfanyl)pyrimidine;hydrochloride
CID 72716663
4-chloro-6-methyl-2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyrimidine
CID 97163214
4,6-dimethyl-2-(piperidin-3-ylmethylsulfanyl)pyrimidine
CID 62305322
4,6-dimethyl-2-(piperidin-4-ylmethylsulfanyl)pyrimidine
CID 62305321
2-chloro-4-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyrimidine
CID 97163842
4-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine
CID 63697837
2-methylsulfanyl-4-(piperidin-4-ylmethylsulfanyl)pyrimidine;hydrochloride
CID 71643270
4-methyl-2-piperidin-3-ylsulfanylpyrimidine
CID 62268752
4-methyl-2-[(3R)-piperidin-3-yl]sulfanylpyrimidine
CID 94388352
4-methyl-2-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine
CID 97163111
2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyridine
CID 94408883
2-methylsulfanyl-4-(pyrrolidin-3-ylmethoxy)pyrimidine;hydrochloride
CID 71643354

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine?
The IUPAC name of 4-methyl-2-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine (CID 62371819) is 4-methyl-2-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine.
What is the SMILES notation for 4-methyl-2-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine?
The canonical SMILES for 4-methyl-2-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine is Cc1ccnc(SCC2CCNC2)n1.
What is the InChIKey of 4-methyl-2-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine?
The InChIKey is LDNGGDFGSNAOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-8-2-5-12-10(13-8)14-7-9-3-4-11-6-9/h2,5,9,11H,3-4,6-7H2,1H3.
What are the key properties of 4-methyl-2-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine?
4-methyl-2-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine has a molecular weight of 209.32 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine is sourced from PubChem (CID 62371819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).