4,6-dimethyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine;hydrochloride

C12H14ClN3S — CID 19850830

IUPAC4,6-dimethyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine;hydrochloride
SMILESCc1cc(C)nc(SCc2ccccn2)n1.Cl
InChIInChI=1S/C12H13N3S.ClH/c1-9-7-10(2)15-12(14-9)16-8-11-5-3-4-6-13-11;/h3-7H,8H2,1-2H3;1H
InChIKeyKRINWRQCQPRHOI-UHFFFAOYSA-N
MW267.79 g/mol
LogP3.20
Rot. Bonds3

About 4,6-dimethyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine;hydrochloride

4,6-dimethyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine;hydrochloride (PubChem CID 19850830) has the molecular formula C12H14ClN3S and a molecular weight of 267.79 g/mol. Its IUPAC name is 4,6-dimethyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine;hydrochloride.

Molecular Properties

Compound Name4,6-dimethyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine;hydrochloride
PubChem CID19850830
Molecular FormulaC12H14ClN3S
Molecular Weight267.79 g/mol
Exact Mass267.06
IUPAC Name4,6-dimethyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine;hydrochloride
SMILESCc1cc(C)nc(SCc2ccccn2)n1.Cl
InChIInChI=1S/C12H13N3S.ClH/c1-9-7-10(2)15-12(14-9)16-8-11-5-3-4-6-13-11;/h3-7H,8H2,1-2H3;1H
InChIKeyKRINWRQCQPRHOI-UHFFFAOYSA-N
XLogP3.20
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.79
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine;hydrochloride?
The IUPAC name of 4,6-dimethyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine;hydrochloride (CID 19850830) is 4,6-dimethyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine;hydrochloride.
What is the SMILES notation for 4,6-dimethyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine;hydrochloride?
The canonical SMILES for 4,6-dimethyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine;hydrochloride is Cc1cc(C)nc(SCc2ccccn2)n1.Cl.
What is the InChIKey of 4,6-dimethyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine;hydrochloride?
The InChIKey is KRINWRQCQPRHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S.ClH/c1-9-7-10(2)15-12(14-9)16-8-11-5-3-4-6-13-11;/h3-7H,8H2,1-2H3;1H.
What are the key properties of 4,6-dimethyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine;hydrochloride?
4,6-dimethyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine;hydrochloride has a molecular weight of 267.79 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine;hydrochloride is sourced from PubChem (CID 19850830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).