4-chloro-2-propan-2-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine

C10H13ClN2S — CID 15055709

IUPAC4-chloro-2-propan-2-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
SMILESCC(C)c1nc(Cl)c2c(n1)CCCS2
InChIInChI=1S/C10H13ClN2S/c1-6(2)10-12-7-4-3-5-14-8(7)9(11)13-10/h6H,3-5H2,1-2H3
InChIKeyGQFQSFDGTHEORR-UHFFFAOYSA-N
MW228.75 g/mol
LogP3.29
Rot. Bonds1

About 4-chloro-2-propan-2-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine

4-chloro-2-propan-2-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine (PubChem CID 15055709) has the molecular formula C10H13ClN2S and a molecular weight of 228.75 g/mol. Its IUPAC name is 4-chloro-2-propan-2-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-propan-2-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
PubChem CID15055709
Molecular FormulaC10H13ClN2S
Molecular Weight228.75 g/mol
Exact Mass228.05
IUPAC Name4-chloro-2-propan-2-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
SMILESCC(C)c1nc(Cl)c2c(n1)CCCS2
InChIInChI=1S/C10H13ClN2S/c1-6(2)10-12-7-4-3-5-14-8(7)9(11)13-10/h6H,3-5H2,1-2H3
InChIKeyGQFQSFDGTHEORR-UHFFFAOYSA-N
XLogP3.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.75
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propan-2-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-2-propan-2-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine (CID 15055709) is 4-chloro-2-propan-2-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-propan-2-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-2-propan-2-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine is CC(C)c1nc(Cl)c2c(n1)CCCS2.
What is the InChIKey of 4-chloro-2-propan-2-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine?
The InChIKey is GQFQSFDGTHEORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2S/c1-6(2)10-12-7-4-3-5-14-8(7)9(11)13-10/h6H,3-5H2,1-2H3.
What are the key properties of 4-chloro-2-propan-2-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine?
4-chloro-2-propan-2-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine has a molecular weight of 228.75 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propan-2-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine is sourced from PubChem (CID 15055709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).