2-methylsulfanyl-4-(pyrrolidin-3-ylmethoxy)pyrimidine;hydrochloride

C10H16ClN3OS — CID 71643354

IUPAC2-methylsulfanyl-4-(pyrrolidin-3-ylmethoxy)pyrimidine;hydrochloride
SMILESCSc1nccc(OCC2CCNC2)n1.Cl
InChIInChI=1S/C10H15N3OS.ClH/c1-15-10-12-5-3-9(13-10)14-7-8-2-4-11-6-8;/h3,5,8,11H,2,4,6-7H2,1H3;1H
InChIKeyYDOGRGLMCHFISK-UHFFFAOYSA-N
MW261.78 g/mol
LogP1.61
Rot. Bonds4

About 2-methylsulfanyl-4-(pyrrolidin-3-ylmethoxy)pyrimidine;hydrochloride

2-methylsulfanyl-4-(pyrrolidin-3-ylmethoxy)pyrimidine;hydrochloride (PubChem CID 71643354) has the molecular formula C10H16ClN3OS and a molecular weight of 261.78 g/mol. Its IUPAC name is 2-methylsulfanyl-4-(pyrrolidin-3-ylmethoxy)pyrimidine;hydrochloride.

Molecular Properties

Compound Name2-methylsulfanyl-4-(pyrrolidin-3-ylmethoxy)pyrimidine;hydrochloride
PubChem CID71643354
Molecular FormulaC10H16ClN3OS
Molecular Weight261.78 g/mol
Exact Mass261.07
IUPAC Name2-methylsulfanyl-4-(pyrrolidin-3-ylmethoxy)pyrimidine;hydrochloride
SMILESCSc1nccc(OCC2CCNC2)n1.Cl
InChIInChI=1S/C10H15N3OS.ClH/c1-15-10-12-5-3-9(13-10)14-7-8-2-4-11-6-8;/h3,5,8,11H,2,4,6-7H2,1H3;1H
InChIKeyYDOGRGLMCHFISK-UHFFFAOYSA-N
XLogP1.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.78
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-methylsulfanyl-6-(piperidin-3-ylmethoxy)pyrimidine;hydrochloride
CID 71643214
2-methylsulfanyl-4-(piperidin-4-ylmethylsulfanyl)pyrimidine;hydrochloride
CID 71643270
2-(pyrrolidin-3-ylmethoxy)pyridine
CID 62371943
2-(pyrrolidin-3-ylmethoxy)-6-(trifluoromethyl)pyridine
CID 62371769
4-methyl-2-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine
CID 62371819
N-methyl-2-methylsulfanyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71643294
2,4-dimethyl-6-(pyrrolidin-3-ylmethoxy)pyrimidine
CID 62371609
5-bromo-2-(pyrrolidin-3-ylmethoxy)pyridine;hydrochloride
CID 71636388
2-methylsulfanyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine
CID 97165005
3-[(4-ethoxyphenoxy)methyl]pyrrolidine;hydrochloride
CID 56830321
4,6-dimethyl-2-[[(3R)-pyrrolidin-3-yl]methoxy]pyrimidine
CID 94408418
2-methylsulfanyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;hydrochloride
CID 71643312

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-(pyrrolidin-3-ylmethoxy)pyrimidine;hydrochloride?
The IUPAC name of 2-methylsulfanyl-4-(pyrrolidin-3-ylmethoxy)pyrimidine;hydrochloride (CID 71643354) is 2-methylsulfanyl-4-(pyrrolidin-3-ylmethoxy)pyrimidine;hydrochloride.
What is the SMILES notation for 2-methylsulfanyl-4-(pyrrolidin-3-ylmethoxy)pyrimidine;hydrochloride?
The canonical SMILES for 2-methylsulfanyl-4-(pyrrolidin-3-ylmethoxy)pyrimidine;hydrochloride is CSc1nccc(OCC2CCNC2)n1.Cl.
What is the InChIKey of 2-methylsulfanyl-4-(pyrrolidin-3-ylmethoxy)pyrimidine;hydrochloride?
The InChIKey is YDOGRGLMCHFISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS.ClH/c1-15-10-12-5-3-9(13-10)14-7-8-2-4-11-6-8;/h3,5,8,11H,2,4,6-7H2,1H3;1H.
What are the key properties of 2-methylsulfanyl-4-(pyrrolidin-3-ylmethoxy)pyrimidine;hydrochloride?
2-methylsulfanyl-4-(pyrrolidin-3-ylmethoxy)pyrimidine;hydrochloride has a molecular weight of 261.78 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-(pyrrolidin-3-ylmethoxy)pyrimidine;hydrochloride is sourced from PubChem (CID 71643354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).