2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-7H-pteridin-6-one

Name: 2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-7H-pteridin-6-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₁₇ClF₂N₄O — CID 87403839

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-7H-pteridin-6-one

SMILESCCC1C(=O)N(C)c2cnc(Cl)nc2N1[C@@H]1CCC(F)(F)C1

InChIInChI=1S/C14H17ClF2N4O/c1-3-9-12(22)20(2)10-7-18-13(15)19-11(10)21(9)8-4-5-14(16,17)6-8/h7-9H,3-6H2,1-2H3/t8-,9?/m1/s1

InChIKeyJAVXOHKAALBEQH-VEDVMXKPSA-N

MW330.77 g/mol

LogP2.88

Rot. Bonds2

About 2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-7H-pteridin-6-one

2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-7H-pteridin-6-one (PubChem CID 87403839) has the molecular formula C₁₄H₁₇ClF₂N₄O and a molecular weight of 330.77 g/mol. Its IUPAC name is 2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-7H-pteridin-6-one.

Molecular Properties

Compound Name	2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-7H-pteridin-6-one
PubChem CID	87403839
Molecular Formula	C₁₄H₁₇ClF₂N₄O
Molecular Weight	330.77 g/mol
Exact Mass	330.11
IUPAC Name	2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-7H-pteridin-6-one
SMILES	CCC1C(=O)N(C)c2cnc(Cl)nc2N1[C@@H]1CCC(F)(F)C1
InChI	InChI=1S/C14H17ClF2N4O/c1-3-9-12(22)20(2)10-7-18-13(15)19-11(10)21(9)8-4-5-14(16,17)6-8/h7-9H,3-6H2,1-2H3/t8-,9?/m1/s1
InChIKey	JAVXOHKAALBEQH-VEDVMXKPSA-N
XLogP	2.88
TPSA	49.33 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	2
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.77
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-7H-pteridin-6-one?

The IUPAC name of 2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-7H-pteridin-6-one (CID 87403839) is 2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-7H-pteridin-6-one.

What is the SMILES notation for 2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-7H-pteridin-6-one?

The canonical SMILES for 2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-7H-pteridin-6-one is CCC1C(=O)N(C)c2cnc(Cl)nc2N1[C@@H]1CCC(F)(F)C1.

What is the InChIKey of 2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-7H-pteridin-6-one?

The InChIKey is JAVXOHKAALBEQH-VEDVMXKPSA-N. The full InChI is InChI=1S/C14H17ClF2N4O/c1-3-9-12(22)20(2)10-7-18-13(15)19-11(10)21(9)8-4-5-14(16,17)6-8/h7-9H,3-6H2,1-2H3/t8-,9?/m1/s1.

What are the key properties of 2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-7H-pteridin-6-one?

2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-7H-pteridin-6-one has a molecular weight of 330.77 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-7H-pteridin-6-one is sourced from PubChem (CID 87403839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 87403839 — identifiers, structure, computed properties (public domain)

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