4-phenylmethoxypteridin-2-amine

C13H11N5O — CID 10332482

IUPAC4-phenylmethoxypteridin-2-amine
SMILESNc1nc(OCc2ccccc2)c2nccnc2n1
InChIInChI=1S/C13H11N5O/c14-13-17-11-10(15-6-7-16-11)12(18-13)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,16,17,18)
InChIKeyLPEVBNRUOUKBST-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.58
Rot. Bonds3

About 4-phenylmethoxypteridin-2-amine

4-phenylmethoxypteridin-2-amine (PubChem CID 10332482) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 4-phenylmethoxypteridin-2-amine.

Molecular Properties

Compound Name4-phenylmethoxypteridin-2-amine
PubChem CID10332482
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name4-phenylmethoxypteridin-2-amine
SMILESNc1nc(OCc2ccccc2)c2nccnc2n1
InChIInChI=1S/C13H11N5O/c14-13-17-11-10(15-6-7-16-11)12(18-13)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,16,17,18)
InChIKeyLPEVBNRUOUKBST-UHFFFAOYSA-N
XLogP1.58
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxypteridin-2-amine?
The IUPAC name of 4-phenylmethoxypteridin-2-amine (CID 10332482) is 4-phenylmethoxypteridin-2-amine.
What is the SMILES notation for 4-phenylmethoxypteridin-2-amine?
The canonical SMILES for 4-phenylmethoxypteridin-2-amine is Nc1nc(OCc2ccccc2)c2nccnc2n1.
What is the InChIKey of 4-phenylmethoxypteridin-2-amine?
The InChIKey is LPEVBNRUOUKBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c14-13-17-11-10(15-6-7-16-11)12(18-13)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,16,17,18).
What are the key properties of 4-phenylmethoxypteridin-2-amine?
4-phenylmethoxypteridin-2-amine has a molecular weight of 253.27 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxypteridin-2-amine is sourced from PubChem (CID 10332482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).