4,6-dimethyl-2-pyrrolidin-3-ylsulfanylpyrimidine

C10H15N3S — CID 62328980

IUPAC4,6-dimethyl-2-pyrrolidin-3-ylsulfanylpyrimidine
SMILESCc1cc(C)nc(SC2CCNC2)n1
InChIInChI=1S/C10H15N3S/c1-7-5-8(2)13-10(12-7)14-9-3-4-11-6-9/h5,9,11H,3-4,6H2,1-2H3
InChIKeyGOMYRDMIZKCSMG-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.55
Rot. Bonds2

About 4,6-dimethyl-2-pyrrolidin-3-ylsulfanylpyrimidine

4,6-dimethyl-2-pyrrolidin-3-ylsulfanylpyrimidine (PubChem CID 62328980) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 4,6-dimethyl-2-pyrrolidin-3-ylsulfanylpyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-pyrrolidin-3-ylsulfanylpyrimidine
PubChem CID62328980
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name4,6-dimethyl-2-pyrrolidin-3-ylsulfanylpyrimidine
SMILESCc1cc(C)nc(SC2CCNC2)n1
InChIInChI=1S/C10H15N3S/c1-7-5-8(2)13-10(12-7)14-9-3-4-11-6-9/h5,9,11H,3-4,6H2,1-2H3
InChIKeyGOMYRDMIZKCSMG-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfanylpyrimidine;hydrochloride
CID 71638426
4-chloro-6-methyl-2-pyrrolidin-3-ylsulfanylpyrimidine
CID 71639266
2,4-dimethyl-6-pyrrolidin-3-ylsulfanylpyridine
CID 102925592
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
2,4-dimethyl-6-piperidin-4-ylsulfanylpyridine
CID 102925601
4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine;hydrochloride
CID 71639006
(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
(3R,4R)-4-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrrolidin-3-ol
CID 126847733

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-pyrrolidin-3-ylsulfanylpyrimidine?
The IUPAC name of 4,6-dimethyl-2-pyrrolidin-3-ylsulfanylpyrimidine (CID 62328980) is 4,6-dimethyl-2-pyrrolidin-3-ylsulfanylpyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-pyrrolidin-3-ylsulfanylpyrimidine?
The canonical SMILES for 4,6-dimethyl-2-pyrrolidin-3-ylsulfanylpyrimidine is Cc1cc(C)nc(SC2CCNC2)n1.
What is the InChIKey of 4,6-dimethyl-2-pyrrolidin-3-ylsulfanylpyrimidine?
The InChIKey is GOMYRDMIZKCSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-7-5-8(2)13-10(12-7)14-9-3-4-11-6-9/h5,9,11H,3-4,6H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-pyrrolidin-3-ylsulfanylpyrimidine?
4,6-dimethyl-2-pyrrolidin-3-ylsulfanylpyrimidine has a molecular weight of 209.32 g/mol, XLogP of 1.55, 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-pyrrolidin-3-ylsulfanylpyrimidine is sourced from PubChem (CID 62328980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).