6-(3,4-difluorophenyl)-4-propan-2-yloxypteridin-2-amine

C15H13F2N5O — CID 11232353

IUPAC6-(3,4-difluorophenyl)-4-propan-2-yloxypteridin-2-amine
SMILESCC(C)Oc1nc(N)nc2ncc(-c3ccc(F)c(F)c3)nc12
InChIInChI=1S/C15H13F2N5O/c1-7(2)23-14-12-13(21-15(18)22-14)19-6-11(20-12)8-3-4-9(16)10(17)5-8/h3-7H,1-2H3,(H2,18,19,21,22)
InChIKeyXWIQECFOAXDPCF-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.73
Rot. Bonds3

About 6-(3,4-difluorophenyl)-4-propan-2-yloxypteridin-2-amine

6-(3,4-difluorophenyl)-4-propan-2-yloxypteridin-2-amine (PubChem CID 11232353) has the molecular formula C15H13F2N5O and a molecular weight of 317.30 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-4-propan-2-yloxypteridin-2-amine.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-4-propan-2-yloxypteridin-2-amine
PubChem CID11232353
Molecular FormulaC15H13F2N5O
Molecular Weight317.30 g/mol
Exact Mass317.11
IUPAC Name6-(3,4-difluorophenyl)-4-propan-2-yloxypteridin-2-amine
SMILESCC(C)Oc1nc(N)nc2ncc(-c3ccc(F)c(F)c3)nc12
InChIInChI=1S/C15H13F2N5O/c1-7(2)23-14-12-13(21-15(18)22-14)19-6-11(20-12)8-3-4-9(16)10(17)5-8/h3-7H,1-2H3,(H2,18,19,21,22)
InChIKeyXWIQECFOAXDPCF-UHFFFAOYSA-N
XLogP2.73
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-4-propan-2-yloxypteridin-2-amine?
The IUPAC name of 6-(3,4-difluorophenyl)-4-propan-2-yloxypteridin-2-amine (CID 11232353) is 6-(3,4-difluorophenyl)-4-propan-2-yloxypteridin-2-amine.
What is the SMILES notation for 6-(3,4-difluorophenyl)-4-propan-2-yloxypteridin-2-amine?
The canonical SMILES for 6-(3,4-difluorophenyl)-4-propan-2-yloxypteridin-2-amine is CC(C)Oc1nc(N)nc2ncc(-c3ccc(F)c(F)c3)nc12.
What is the InChIKey of 6-(3,4-difluorophenyl)-4-propan-2-yloxypteridin-2-amine?
The InChIKey is XWIQECFOAXDPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5O/c1-7(2)23-14-12-13(21-15(18)22-14)19-6-11(20-12)8-3-4-9(16)10(17)5-8/h3-7H,1-2H3,(H2,18,19,21,22).
What are the key properties of 6-(3,4-difluorophenyl)-4-propan-2-yloxypteridin-2-amine?
6-(3,4-difluorophenyl)-4-propan-2-yloxypteridin-2-amine has a molecular weight of 317.30 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-4-propan-2-yloxypteridin-2-amine is sourced from PubChem (CID 11232353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).