4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]sulfanylpyrimidine

C10H14ClN3S — CID 97162662

IUPAC4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]sulfanylpyrimidine
SMILESCc1cnc(S[C@H]2CCCNC2)nc1Cl
InChIInChI=1S/C10H14ClN3S/c1-7-5-13-10(14-9(7)11)15-8-3-2-4-12-6-8/h5,8,12H,2-4,6H2,1H3/t8-/m0/s1
InChIKeyDKULFEVFMUADSQ-QMMMGPOBSA-N
MW243.76 g/mol
LogP2.28
Rot. Bonds2

About 4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]sulfanylpyrimidine

4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]sulfanylpyrimidine (PubChem CID 97162662) has the molecular formula C10H14ClN3S and a molecular weight of 243.76 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]sulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]sulfanylpyrimidine
PubChem CID97162662
Molecular FormulaC10H14ClN3S
Molecular Weight243.76 g/mol
Exact Mass243.06
IUPAC Name4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]sulfanylpyrimidine
SMILESCc1cnc(S[C@H]2CCCNC2)nc1Cl
InChIInChI=1S/C10H14ClN3S/c1-7-5-13-10(14-9(7)11)15-8-3-2-4-12-6-8/h5,8,12H,2-4,6H2,1H3/t8-/m0/s1
InChIKeyDKULFEVFMUADSQ-QMMMGPOBSA-N
XLogP2.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-methyl-2-[(3R)-piperidin-3-yl]sulfanylpyrimidine
CID 97162661
4-chloro-5-methyl-2-pyrrolidin-3-ylsulfanylpyrimidine
CID 71638126
4-chloro-5-methyl-2-[[(3R)-piperidin-3-yl]methylsulfanyl]pyrimidine
CID 97162667
4-methyl-2-[(3R)-piperidin-3-yl]sulfanylpyrimidine
CID 94388352
4-methyl-2-piperidin-3-ylsulfanylpyrimidine
CID 62268752
4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine
CID 71639114
2-piperidin-3-ylsulfanylpyrimidine;hydrochloride
CID 71637401
4-chloro-5-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride
CID 71639098
4-chloro-6-piperidin-3-ylsulfanylpyrimidine;hydrochloride
CID 71640713
4-chloro-6-methyl-2-pyrrolidin-3-ylsulfanylpyrimidine
CID 71639266
4-chloro-5-methyl-2-[[(2R)-piperidin-2-yl]methylsulfanyl]pyrimidine
CID 97162664
4,6-dimethyl-2-pyrrolidin-3-ylsulfanylpyrimidine
CID 62328980

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]sulfanylpyrimidine?
The IUPAC name of 4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]sulfanylpyrimidine (CID 97162662) is 4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]sulfanylpyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]sulfanylpyrimidine?
The canonical SMILES for 4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]sulfanylpyrimidine is Cc1cnc(S[C@H]2CCCNC2)nc1Cl.
What is the InChIKey of 4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]sulfanylpyrimidine?
The InChIKey is DKULFEVFMUADSQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14ClN3S/c1-7-5-13-10(14-9(7)11)15-8-3-2-4-12-6-8/h5,8,12H,2-4,6H2,1H3/t8-/m0/s1.
What are the key properties of 4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]sulfanylpyrimidine?
4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]sulfanylpyrimidine has a molecular weight of 243.76 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]sulfanylpyrimidine is sourced from PubChem (CID 97162662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).