6-chloro-4-pentoxypteridin-2-amine

C11H14ClN5O — CID 14971577

IUPAC6-chloro-4-pentoxypteridin-2-amine
SMILESCCCCCOc1nc(N)nc2ncc(Cl)nc12
InChIInChI=1S/C11H14ClN5O/c1-2-3-4-5-18-10-8-9(16-11(13)17-10)14-6-7(12)15-8/h6H,2-5H2,1H3,(H2,13,14,16,17)
InChIKeyKGXODUPLYYSISW-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.22
Rot. Bonds5

About 6-chloro-4-pentoxypteridin-2-amine

6-chloro-4-pentoxypteridin-2-amine (PubChem CID 14971577) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is 6-chloro-4-pentoxypteridin-2-amine.

Molecular Properties

Compound Name6-chloro-4-pentoxypteridin-2-amine
PubChem CID14971577
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name6-chloro-4-pentoxypteridin-2-amine
SMILESCCCCCOc1nc(N)nc2ncc(Cl)nc12
InChIInChI=1S/C11H14ClN5O/c1-2-3-4-5-18-10-8-9(16-11(13)17-10)14-6-7(12)15-8/h6H,2-5H2,1H3,(H2,13,14,16,17)
InChIKeyKGXODUPLYYSISW-UHFFFAOYSA-N
XLogP2.22
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-pentoxypteridin-2-amine?
The IUPAC name of 6-chloro-4-pentoxypteridin-2-amine (CID 14971577) is 6-chloro-4-pentoxypteridin-2-amine.
What is the SMILES notation for 6-chloro-4-pentoxypteridin-2-amine?
The canonical SMILES for 6-chloro-4-pentoxypteridin-2-amine is CCCCCOc1nc(N)nc2ncc(Cl)nc12.
What is the InChIKey of 6-chloro-4-pentoxypteridin-2-amine?
The InChIKey is KGXODUPLYYSISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O/c1-2-3-4-5-18-10-8-9(16-11(13)17-10)14-6-7(12)15-8/h6H,2-5H2,1H3,(H2,13,14,16,17).
What are the key properties of 6-chloro-4-pentoxypteridin-2-amine?
6-chloro-4-pentoxypteridin-2-amine has a molecular weight of 267.72 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-pentoxypteridin-2-amine is sourced from PubChem (CID 14971577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).