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

C14H18FN3OS — CID 141041187

IUPAC8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfinyl-7H-pyrido[2,3-d]pyrimidine
SMILESCC1=C(F)CN(C2CCCC2)c2nc(S(C)=O)ncc21
InChIInChI=1S/C14H18FN3OS/c1-9-11-7-16-14(20(2)19)17-13(11)18(8-12(9)15)10-5-3-4-6-10/h7,10H,3-6,8H2,1-2H3
InChIKeyVMAVGCFGVLQVMK-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.68
Rot. Bonds2

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

8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfinyl-7H-pyrido[2,3-d]pyrimidine (PubChem CID 141041187) has the molecular formula C14H18FN3OS and a molecular weight of 295.38 g/mol. Its IUPAC name is 8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfinyl-7H-pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfinyl-7H-pyrido[2,3-d]pyrimidine
PubChem CID141041187
Molecular FormulaC14H18FN3OS
Molecular Weight295.38 g/mol
Exact Mass295.12
IUPAC Name8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfinyl-7H-pyrido[2,3-d]pyrimidine
SMILESCC1=C(F)CN(C2CCCC2)c2nc(S(C)=O)ncc21
InChIInChI=1S/C14H18FN3OS/c1-9-11-7-16-14(20(2)19)17-13(11)18(8-12(9)15)10-5-3-4-6-10/h7,10H,3-6,8H2,1-2H3
InChIKeyVMAVGCFGVLQVMK-UHFFFAOYSA-N
XLogP2.68
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.68
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-methylsulfinyl-7H-pyrido[2,3-d]pyrimidine?
The IUPAC name of 8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfinyl-7H-pyrido[2,3-d]pyrimidine (CID 141041187) is 8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfinyl-7H-pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfinyl-7H-pyrido[2,3-d]pyrimidine?
The canonical SMILES for 8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfinyl-7H-pyrido[2,3-d]pyrimidine is CC1=C(F)CN(C2CCCC2)c2nc(S(C)=O)ncc21.
What is the InChIKey of 8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfinyl-7H-pyrido[2,3-d]pyrimidine?
The InChIKey is VMAVGCFGVLQVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3OS/c1-9-11-7-16-14(20(2)19)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-methylsulfinyl-7H-pyrido[2,3-d]pyrimidine?
8-cyclopentyl-6-fluoro-5-methyl-2-methylsulfinyl-7H-pyrido[2,3-d]pyrimidine has a molecular weight of 295.38 g/mol, XLogP of 2.68, 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-methylsulfinyl-7H-pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 141041187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).