4-chloro-2-ethylsulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine

C9H11ClN2OS — CID 142062461

IUPAC4-chloro-2-ethylsulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
SMILESCCSc1nc(Cl)c2c(n1)OCCC2
InChIInChI=1S/C9H11ClN2OS/c1-2-14-9-11-7(10)6-4-3-5-13-8(6)12-9/h2-5H2,1H3
InChIKeyLFVKAYBAEHWZDE-UHFFFAOYSA-N
MW230.72 g/mol
LogP2.57
Rot. Bonds2

About 4-chloro-2-ethylsulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine

4-chloro-2-ethylsulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine (PubChem CID 142062461) has the molecular formula C9H11ClN2OS and a molecular weight of 230.72 g/mol. Its IUPAC name is 4-chloro-2-ethylsulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethylsulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
PubChem CID142062461
Molecular FormulaC9H11ClN2OS
Molecular Weight230.72 g/mol
Exact Mass230.03
IUPAC Name4-chloro-2-ethylsulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
SMILESCCSc1nc(Cl)c2c(n1)OCCC2
InChIInChI=1S/C9H11ClN2OS/c1-2-14-9-11-7(10)6-4-3-5-13-8(6)12-9/h2-5H2,1H3
InChIKeyLFVKAYBAEHWZDE-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethylsulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-ethylsulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine (CID 142062461) is 4-chloro-2-ethylsulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-ethylsulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-ethylsulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine is CCSc1nc(Cl)c2c(n1)OCCC2.
What is the InChIKey of 4-chloro-2-ethylsulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine?
The InChIKey is LFVKAYBAEHWZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2OS/c1-2-14-9-11-7(10)6-4-3-5-13-8(6)12-9/h2-5H2,1H3.
What are the key properties of 4-chloro-2-ethylsulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine?
4-chloro-2-ethylsulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine has a molecular weight of 230.72 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethylsulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine is sourced from PubChem (CID 142062461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).