8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine

C14H18FN3S — CID 154452155

IUPAC8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine
SMILESCSc1ncc2c(n1)N(C1CCCC1)CC(F)=C2C
InChIInChI=1S/C14H18FN3S/c1-9-11-7-16-14(19-2)17-13(11)18(8-12(9)15)10-5-3-4-6-10/h7,10H,3-6,8H2,1-2H3
InChIKeyWKZNLCQJJGUJED-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.66
Rot. Bonds2

About 8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine

8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine (PubChem CID 154452155) has the molecular formula C14H18FN3S and a molecular weight of 279.38 g/mol. Its IUPAC name is 8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine
PubChem CID154452155
Molecular FormulaC14H18FN3S
Molecular Weight279.38 g/mol
Exact Mass279.12
IUPAC Name8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine
SMILESCSc1ncc2c(n1)N(C1CCCC1)CC(F)=C2C
InChIInChI=1S/C14H18FN3S/c1-9-11-7-16-14(19-2)17-13(11)18(8-12(9)15)10-5-3-4-6-10/h7,10H,3-6,8H2,1-2H3
InChIKeyWKZNLCQJJGUJED-UHFFFAOYSA-N
XLogP3.66
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine?
The IUPAC name of 8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine (CID 154452155) is 8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine?
The canonical SMILES for 8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine is CSc1ncc2c(n1)N(C1CCCC1)CC(F)=C2C.
What is the InChIKey of 8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine?
The InChIKey is WKZNLCQJJGUJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3S/c1-9-11-7-16-14(19-2)17-13(11)18(8-12(9)15)10-5-3-4-6-10/h7,10H,3-6,8H2,1-2H3.
What are the key properties of 8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine?
8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine has a molecular weight of 279.38 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 154452155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).