2-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-fluorophenol

C13H13FN4O — CID 159372145

IUPAC2-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-fluorophenol
SMILESNc1ncnc2c1CCN(c1c(O)cccc1F)C2
InChIInChI=1S/C13H13FN4O/c14-9-2-1-3-11(19)12(9)18-5-4-8-10(6-18)16-7-17-13(8)15/h1-3,7,19H,4-6H2,(H2,15,16,17)
InChIKeyUWIONMFFOXXHHW-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.47
Rot. Bonds1

About 2-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-fluorophenol

2-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-fluorophenol (PubChem CID 159372145) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is 2-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-fluorophenol.

Molecular Properties

Compound Name2-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-fluorophenol
PubChem CID159372145
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC Name2-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-fluorophenol
SMILESNc1ncnc2c1CCN(c1c(O)cccc1F)C2
InChIInChI=1S/C13H13FN4O/c14-9-2-1-3-11(19)12(9)18-5-4-8-10(6-18)16-7-17-13(8)15/h1-3,7,19H,4-6H2,(H2,15,16,17)
InChIKeyUWIONMFFOXXHHW-UHFFFAOYSA-N
XLogP1.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2-chlorophenyl)methanone
CID 69269263
1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2,2-diphenylethanone
CID 69269436
7-[[3-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 69267923
7-(2,5-dichlorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 69267948
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(3-methoxyphenyl)methanone
CID 69267728
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 69271185
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-quinoxalin-2-ylmethanone
CID 69266782
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4-ethylphenyl)methanone
CID 69268412
1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylmethoxyethanone
CID 69269067
6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine
CID 82417454
N-tert-butyl-7-(2-fluorophenyl)-N-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 167080419
5,6,7,8-tetrahydroquinazolin-4-amine
CID 45079028

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-fluorophenol?
The IUPAC name of 2-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-fluorophenol (CID 159372145) is 2-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-fluorophenol.
What is the SMILES notation for 2-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-fluorophenol?
The canonical SMILES for 2-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-fluorophenol is Nc1ncnc2c1CCN(c1c(O)cccc1F)C2.
What is the InChIKey of 2-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-fluorophenol?
The InChIKey is UWIONMFFOXXHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O/c14-9-2-1-3-11(19)12(9)18-5-4-8-10(6-18)16-7-17-13(8)15/h1-3,7,19H,4-6H2,(H2,15,16,17).
What are the key properties of 2-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-fluorophenol?
2-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-fluorophenol has a molecular weight of 260.27 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-fluorophenol is sourced from PubChem (CID 159372145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).