4-(cyclobutylmethoxy)-6-(4-fluorophenyl)pteridin-2-amine

C17H16FN5O — CID 68773258

IUPAC4-(cyclobutylmethoxy)-6-(4-fluorophenyl)pteridin-2-amine
SMILESNc1nc(OCC2CCC2)c2nc(-c3ccc(F)cc3)cnc2n1
InChIInChI=1S/C17H16FN5O/c18-12-6-4-11(5-7-12)13-8-20-15-14(21-13)16(23-17(19)22-15)24-9-10-2-1-3-10/h4-8,10H,1-3,9H2,(H2,19,20,22,23)
InChIKeyXTHACNVNAZZMMS-UHFFFAOYSA-N
MW325.35 g/mol
LogP2.99
Rot. Bonds4

About 4-(cyclobutylmethoxy)-6-(4-fluorophenyl)pteridin-2-amine

4-(cyclobutylmethoxy)-6-(4-fluorophenyl)pteridin-2-amine (PubChem CID 68773258) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is 4-(cyclobutylmethoxy)-6-(4-fluorophenyl)pteridin-2-amine.

Molecular Properties

Compound Name4-(cyclobutylmethoxy)-6-(4-fluorophenyl)pteridin-2-amine
PubChem CID68773258
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name4-(cyclobutylmethoxy)-6-(4-fluorophenyl)pteridin-2-amine
SMILESNc1nc(OCC2CCC2)c2nc(-c3ccc(F)cc3)cnc2n1
InChIInChI=1S/C17H16FN5O/c18-12-6-4-11(5-7-12)13-8-20-15-14(21-13)16(23-17(19)22-15)24-9-10-2-1-3-10/h4-8,10H,1-3,9H2,(H2,19,20,22,23)
InChIKeyXTHACNVNAZZMMS-UHFFFAOYSA-N
XLogP2.99
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethoxy)-6-(4-fluorophenyl)pteridin-2-amine?
The IUPAC name of 4-(cyclobutylmethoxy)-6-(4-fluorophenyl)pteridin-2-amine (CID 68773258) is 4-(cyclobutylmethoxy)-6-(4-fluorophenyl)pteridin-2-amine.
What is the SMILES notation for 4-(cyclobutylmethoxy)-6-(4-fluorophenyl)pteridin-2-amine?
The canonical SMILES for 4-(cyclobutylmethoxy)-6-(4-fluorophenyl)pteridin-2-amine is Nc1nc(OCC2CCC2)c2nc(-c3ccc(F)cc3)cnc2n1.
What is the InChIKey of 4-(cyclobutylmethoxy)-6-(4-fluorophenyl)pteridin-2-amine?
The InChIKey is XTHACNVNAZZMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c18-12-6-4-11(5-7-12)13-8-20-15-14(21-13)16(23-17(19)22-15)24-9-10-2-1-3-10/h4-8,10H,1-3,9H2,(H2,19,20,22,23).
What are the key properties of 4-(cyclobutylmethoxy)-6-(4-fluorophenyl)pteridin-2-amine?
4-(cyclobutylmethoxy)-6-(4-fluorophenyl)pteridin-2-amine has a molecular weight of 325.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethoxy)-6-(4-fluorophenyl)pteridin-2-amine is sourced from PubChem (CID 68773258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).