4-chloro-6-[(3-chloro-2-pyridinyl)sulfanyl]-2-(methoxymethyl)pyrimidine

C11H9Cl2N3OS — CID 113401115

IUPAC4-chloro-6-[(3-chloro-2-pyridinyl)sulfanyl]-2-(methoxymethyl)pyrimidine
SMILESCOCc1nc(Cl)cc(Sc2ncccc2Cl)n1
InChIInChI=1S/C11H9Cl2N3OS/c1-17-6-9-15-8(13)5-10(16-9)18-11-7(12)3-2-4-14-11/h2-5H,6H2,1H3
InChIKeyKDAAXQKPIUYGJC-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.48
Rot. Bonds4

About 4-chloro-6-[(3-chloro-2-pyridinyl)sulfanyl]-2-(methoxymethyl)pyrimidine

4-chloro-6-[(3-chloro-2-pyridinyl)sulfanyl]-2-(methoxymethyl)pyrimidine (PubChem CID 113401115) has the molecular formula C11H9Cl2N3OS and a molecular weight of 302.19 g/mol. Its IUPAC name is 4-chloro-6-[(3-chloro-2-pyridinyl)sulfanyl]-2-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-[(3-chloro-2-pyridinyl)sulfanyl]-2-(methoxymethyl)pyrimidine
PubChem CID113401115
Molecular FormulaC11H9Cl2N3OS
Molecular Weight302.19 g/mol
Exact Mass300.98
IUPAC Name4-chloro-6-[(3-chloro-2-pyridinyl)sulfanyl]-2-(methoxymethyl)pyrimidine
SMILESCOCc1nc(Cl)cc(Sc2ncccc2Cl)n1
InChIInChI=1S/C11H9Cl2N3OS/c1-17-6-9-15-8(13)5-10(16-9)18-11-7(12)3-2-4-14-11/h2-5H,6H2,1H3
InChIKeyKDAAXQKPIUYGJC-UHFFFAOYSA-N
XLogP3.48
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(3-chloro-2-pyridinyl)sulfanyl]-2-(methoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-6-[(3-chloro-2-pyridinyl)sulfanyl]-2-(methoxymethyl)pyrimidine (CID 113401115) is 4-chloro-6-[(3-chloro-2-pyridinyl)sulfanyl]-2-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-[(3-chloro-2-pyridinyl)sulfanyl]-2-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-[(3-chloro-2-pyridinyl)sulfanyl]-2-(methoxymethyl)pyrimidine is COCc1nc(Cl)cc(Sc2ncccc2Cl)n1.
What is the InChIKey of 4-chloro-6-[(3-chloro-2-pyridinyl)sulfanyl]-2-(methoxymethyl)pyrimidine?
The InChIKey is KDAAXQKPIUYGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3OS/c1-17-6-9-15-8(13)5-10(16-9)18-11-7(12)3-2-4-14-11/h2-5H,6H2,1H3.
What are the key properties of 4-chloro-6-[(3-chloro-2-pyridinyl)sulfanyl]-2-(methoxymethyl)pyrimidine?
4-chloro-6-[(3-chloro-2-pyridinyl)sulfanyl]-2-(methoxymethyl)pyrimidine has a molecular weight of 302.19 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(3-chloro-2-pyridinyl)sulfanyl]-2-(methoxymethyl)pyrimidine is sourced from PubChem (CID 113401115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).