4-methyl-2-[(3R)-piperidin-3-yl]sulfanylpyrimidine

C10H15N3S — CID 94388352

IUPAC4-methyl-2-[(3R)-piperidin-3-yl]sulfanylpyrimidine
SMILESCc1ccnc(S[C@@H]2CCCNC2)n1
InChIInChI=1S/C10H15N3S/c1-8-4-6-12-10(13-8)14-9-3-2-5-11-7-9/h4,6,9,11H,2-3,5,7H2,1H3/t9-/m1/s1
InChIKeyKDGPVIVDTAGUNO-SECBINFHSA-N
MW209.32 g/mol
LogP1.63
Rot. Bonds2

About 4-methyl-2-[(3R)-piperidin-3-yl]sulfanylpyrimidine

4-methyl-2-[(3R)-piperidin-3-yl]sulfanylpyrimidine (PubChem CID 94388352) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 4-methyl-2-[(3R)-piperidin-3-yl]sulfanylpyrimidine.

Molecular Properties

Compound Name4-methyl-2-[(3R)-piperidin-3-yl]sulfanylpyrimidine
PubChem CID94388352
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name4-methyl-2-[(3R)-piperidin-3-yl]sulfanylpyrimidine
SMILESCc1ccnc(S[C@@H]2CCCNC2)n1
InChIInChI=1S/C10H15N3S/c1-8-4-6-12-10(13-8)14-9-3-2-5-11-7-9/h4,6,9,11H,2-3,5,7H2,1H3/t9-/m1/s1
InChIKeyKDGPVIVDTAGUNO-SECBINFHSA-N
XLogP1.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-piperidin-3-ylsulfanylpyrimidine
CID 62268752
2-piperidin-3-ylsulfanylpyrimidine;hydrochloride
CID 71637401
4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]sulfanylpyrimidine
CID 97162662
4-chloro-5-methyl-2-[(3R)-piperidin-3-yl]sulfanylpyrimidine
CID 97162661
4,6-dimethyl-2-pyrrolidin-3-ylsulfanylpyrimidine
CID 62328980
4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfanylpyrimidine;hydrochloride
CID 71638426
3-(4-methylpyrimidin-2-yl)sulfanyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314466
4-methyl-2-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine
CID 62371819
(2S,4R)-4-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2-carboxylic acid
CID 131913501
4-chloro-6-methyl-2-pyrrolidin-3-ylsulfanylpyrimidine
CID 71639266
4-methyl-2-piperidin-3-ylsulfinylpyrimidine
CID 71638991
2-[(3S)-piperidin-3-yl]sulfanylpyridine-4-carbonitrile
CID 97165168

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3R)-piperidin-3-yl]sulfanylpyrimidine?
The IUPAC name of 4-methyl-2-[(3R)-piperidin-3-yl]sulfanylpyrimidine (CID 94388352) is 4-methyl-2-[(3R)-piperidin-3-yl]sulfanylpyrimidine.
What is the SMILES notation for 4-methyl-2-[(3R)-piperidin-3-yl]sulfanylpyrimidine?
The canonical SMILES for 4-methyl-2-[(3R)-piperidin-3-yl]sulfanylpyrimidine is Cc1ccnc(S[C@@H]2CCCNC2)n1.
What is the InChIKey of 4-methyl-2-[(3R)-piperidin-3-yl]sulfanylpyrimidine?
The InChIKey is KDGPVIVDTAGUNO-SECBINFHSA-N. The full InChI is InChI=1S/C10H15N3S/c1-8-4-6-12-10(13-8)14-9-3-2-5-11-7-9/h4,6,9,11H,2-3,5,7H2,1H3/t9-/m1/s1.
What are the key properties of 4-methyl-2-[(3R)-piperidin-3-yl]sulfanylpyrimidine?
4-methyl-2-[(3R)-piperidin-3-yl]sulfanylpyrimidine has a molecular weight of 209.32 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3R)-piperidin-3-yl]sulfanylpyrimidine is sourced from PubChem (CID 94388352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).