4-chloro-2-(methoxymethyl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine

C9H11ClN2OS — CID 15055713

IUPAC4-chloro-2-(methoxymethyl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
SMILESCOCc1nc(Cl)c2c(n1)CCCS2
InChIInChI=1S/C9H11ClN2OS/c1-13-5-7-11-6-3-2-4-14-8(6)9(10)12-7/h2-5H2,1H3
InChIKeyXOLIJWRZWSROGS-UHFFFAOYSA-N
MW230.72 g/mol
LogP2.31
Rot. Bonds2

About 4-chloro-2-(methoxymethyl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine

4-chloro-2-(methoxymethyl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine (PubChem CID 15055713) has the molecular formula C9H11ClN2OS and a molecular weight of 230.72 g/mol. Its IUPAC name is 4-chloro-2-(methoxymethyl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(methoxymethyl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
PubChem CID15055713
Molecular FormulaC9H11ClN2OS
Molecular Weight230.72 g/mol
Exact Mass230.03
IUPAC Name4-chloro-2-(methoxymethyl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
SMILESCOCc1nc(Cl)c2c(n1)CCCS2
InChIInChI=1S/C9H11ClN2OS/c1-13-5-7-11-6-3-2-4-14-8(6)9(10)12-7/h2-5H2,1H3
InChIKeyXOLIJWRZWSROGS-UHFFFAOYSA-N
XLogP2.31
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(methoxymethyl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-2-(methoxymethyl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine (CID 15055713) is 4-chloro-2-(methoxymethyl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(methoxymethyl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(methoxymethyl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine is COCc1nc(Cl)c2c(n1)CCCS2.
What is the InChIKey of 4-chloro-2-(methoxymethyl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine?
The InChIKey is XOLIJWRZWSROGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2OS/c1-13-5-7-11-6-3-2-4-14-8(6)9(10)12-7/h2-5H2,1H3.
What are the key properties of 4-chloro-2-(methoxymethyl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine?
4-chloro-2-(methoxymethyl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine has a molecular weight of 230.72 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(methoxymethyl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine is sourced from PubChem (CID 15055713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).