2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]pteridin-7-one

C16H13F2N5O2 — CID 165391315

IUPAC2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]pteridin-7-one
SMILESO=c1cnc2cnc(NC3CC3)nc2n1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H13F2N5O2/c17-15(18)25-11-5-3-10(4-6-11)23-13(24)8-19-12-7-20-16(22-14(12)23)21-9-1-2-9/h3-9,15H,1-2H2,(H,20,21,22)
InChIKeyNLVOMUSKDFIUTR-UHFFFAOYSA-N
MW345.31 g/mol
LogP2.35
Rot. Bonds5

About 2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]pteridin-7-one

2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]pteridin-7-one (PubChem CID 165391315) has the molecular formula C16H13F2N5O2 and a molecular weight of 345.31 g/mol. Its IUPAC name is 2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]pteridin-7-one.

Molecular Properties

Compound Name2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]pteridin-7-one
PubChem CID165391315
Molecular FormulaC16H13F2N5O2
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC Name2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]pteridin-7-one
SMILESO=c1cnc2cnc(NC3CC3)nc2n1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H13F2N5O2/c17-15(18)25-11-5-3-10(4-6-11)23-13(24)8-19-12-7-20-16(22-14(12)23)21-9-1-2-9/h3-9,15H,1-2H2,(H,20,21,22)
InChIKeyNLVOMUSKDFIUTR-UHFFFAOYSA-N
XLogP2.35
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]pteridin-7-one?
The IUPAC name of 2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]pteridin-7-one (CID 165391315) is 2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]pteridin-7-one.
What is the SMILES notation for 2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]pteridin-7-one?
The canonical SMILES for 2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]pteridin-7-one is O=c1cnc2cnc(NC3CC3)nc2n1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]pteridin-7-one?
The InChIKey is NLVOMUSKDFIUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O2/c17-15(18)25-11-5-3-10(4-6-11)23-13(24)8-19-12-7-20-16(22-14(12)23)21-9-1-2-9/h3-9,15H,1-2H2,(H,20,21,22).
What are the key properties of 2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]pteridin-7-one?
2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]pteridin-7-one has a molecular weight of 345.31 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]pteridin-7-one is sourced from PubChem (CID 165391315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).