4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfanylpyrimidine;hydrochloride

C10H16ClN3S — CID 71638426

IUPAC4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfanylpyrimidine;hydrochloride
SMILESCc1cc(C)nc(S[C@H]2CCNC2)n1.Cl
InChIInChI=1S/C10H15N3S.ClH/c1-7-5-8(2)13-10(12-7)14-9-3-4-11-6-9;/h5,9,11H,3-4,6H2,1-2H3;1H/t9-;/m0./s1
InChIKeyAQZOTRXVMBHKSO-FVGYRXGTSA-N
MW245.78 g/mol
LogP1.97
Rot. Bonds2

About 4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfanylpyrimidine;hydrochloride

4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfanylpyrimidine;hydrochloride (PubChem CID 71638426) has the molecular formula C10H16ClN3S and a molecular weight of 245.78 g/mol. Its IUPAC name is 4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfanylpyrimidine;hydrochloride.

Molecular Properties

Compound Name4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfanylpyrimidine;hydrochloride
PubChem CID71638426
Molecular FormulaC10H16ClN3S
Molecular Weight245.78 g/mol
Exact Mass245.08
IUPAC Name4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfanylpyrimidine;hydrochloride
SMILESCc1cc(C)nc(S[C@H]2CCNC2)n1.Cl
InChIInChI=1S/C10H15N3S.ClH/c1-7-5-8(2)13-10(12-7)14-9-3-4-11-6-9;/h5,9,11H,3-4,6H2,1-2H3;1H/t9-;/m0./s1
InChIKeyAQZOTRXVMBHKSO-FVGYRXGTSA-N
XLogP1.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethyl-2-pyrrolidin-3-ylsulfanylpyrimidine
CID 62328980
4-chloro-6-methyl-2-pyrrolidin-3-ylsulfanylpyrimidine
CID 71639266
2,4-dimethyl-6-pyrrolidin-3-ylsulfanylpyridine
CID 102925592
2,4-dimethyl-6-piperidin-4-ylsulfanylpyridine
CID 102925601
4-methyl-2-[(3R)-piperidin-3-yl]sulfanylpyrimidine
CID 94388352
4-methyl-2-piperidin-3-ylsulfanylpyrimidine
CID 62268752
4-chloro-5-methyl-2-pyrrolidin-3-ylsulfanylpyrimidine
CID 71638126
4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine;hydrochloride
CID 71639006
bis(3-(3,4-dichlorophenyl)sulfanylpyrrolidine);hydrate;dihydrochloride
CID 131714712
(3R)-3-(3,4-dichlorophenyl)sulfanylpyrrolidine
CID 94844656
4,6-dimethyl-2-(piperidin-4-ylmethylsulfanyl)pyrimidine
CID 62305321
4,6-dimethyl-2-(piperidin-3-ylmethylsulfanyl)pyrimidine
CID 62305322

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfanylpyrimidine;hydrochloride?
The IUPAC name of 4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfanylpyrimidine;hydrochloride (CID 71638426) is 4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfanylpyrimidine;hydrochloride.
What is the SMILES notation for 4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfanylpyrimidine;hydrochloride?
The canonical SMILES for 4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfanylpyrimidine;hydrochloride is Cc1cc(C)nc(S[C@H]2CCNC2)n1.Cl.
What is the InChIKey of 4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfanylpyrimidine;hydrochloride?
The InChIKey is AQZOTRXVMBHKSO-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H15N3S.ClH/c1-7-5-8(2)13-10(12-7)14-9-3-4-11-6-9;/h5,9,11H,3-4,6H2,1-2H3;1H/t9-;/m0./s1.
What are the key properties of 4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfanylpyrimidine;hydrochloride?
4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfanylpyrimidine;hydrochloride has a molecular weight of 245.78 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfanylpyrimidine;hydrochloride is sourced from PubChem (CID 71638426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).