2-(2-propoxyphenyl)-3H-pteridin-4-one

C15H14N4O2 — CID 135670793

IUPAC2-(2-propoxyphenyl)-3H-pteridin-4-one
SMILESCCCOc1ccccc1-c1nc2nccnc2c(=O)[nH]1
InChIInChI=1S/C15H14N4O2/c1-2-9-21-11-6-4-3-5-10(11)13-18-14-12(15(20)19-13)16-7-8-17-14/h3-8H,2,9H2,1H3,(H,17,18,19,20)
InChIKeyRRJBLMIIOWAQLT-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.17
Rot. Bonds4

About 2-(2-propoxyphenyl)-3H-pteridin-4-one

2-(2-propoxyphenyl)-3H-pteridin-4-one (PubChem CID 135670793) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(2-propoxyphenyl)-3H-pteridin-4-one.

Molecular Properties

Compound Name2-(2-propoxyphenyl)-3H-pteridin-4-one
PubChem CID135670793
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2-(2-propoxyphenyl)-3H-pteridin-4-one
SMILESCCCOc1ccccc1-c1nc2nccnc2c(=O)[nH]1
InChIInChI=1S/C15H14N4O2/c1-2-9-21-11-6-4-3-5-10(11)13-18-14-12(15(20)19-13)16-7-8-17-14/h3-8H,2,9H2,1H3,(H,17,18,19,20)
InChIKeyRRJBLMIIOWAQLT-UHFFFAOYSA-N
XLogP2.17
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methylamino)-6-(2-propoxyphenyl)-7H-pyrimido[4,5-e][1,2,4]triazin-8-one
CID 135670774
6-(2-propoxyphenyl)-7H-pyrimido[5,4-d]pyrimidin-8-one
CID 135559157
6-(2-propoxyphenyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135456702
2-(2-ethoxyphenyl)-3H-pyrido[3,2-d]pyrimidin-4-one
CID 135670755
2-hydrazinyl-7-(2-propoxyphenyl)-6H-pyrimido[4,5-d]pyrimidin-5-one
CID 135670787
2-methoxy-6-(2-propoxyphenyl)-1H-1,3,5-triazine-4-thione
CID 106521583
2-(2-propoxyphenyl)-4-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one
CID 135845406
ethyl 3-[[5-oxo-7-(2-propoxyphenyl)-6H-pyrimido[4,5-d]pyrimidin-2-yl]amino]propanoate
CID 135670771
N-[6-oxo-2-(2-propoxyphenyl)-1H-pyrimidin-4-yl]propanamide
CID 135482146
3-(7-oxo-2,6-dihydrotriazolo[4,5-d]pyrimidin-5-yl)-4-propoxybenzenesulfonamide
CID 135507452
8-(4-hydroxynonan-3-yl)-2-(2-propoxyphenyl)-3H-quinazolin-4-one
CID 135494406
2-(2-ethoxyphenyl)-8-methoxy-3H-quinazolin-4-one
CID 135966513

Frequently Asked Questions

What is the IUPAC name of 2-(2-propoxyphenyl)-3H-pteridin-4-one?
The IUPAC name of 2-(2-propoxyphenyl)-3H-pteridin-4-one (CID 135670793) is 2-(2-propoxyphenyl)-3H-pteridin-4-one.
What is the SMILES notation for 2-(2-propoxyphenyl)-3H-pteridin-4-one?
The canonical SMILES for 2-(2-propoxyphenyl)-3H-pteridin-4-one is CCCOc1ccccc1-c1nc2nccnc2c(=O)[nH]1.
What is the InChIKey of 2-(2-propoxyphenyl)-3H-pteridin-4-one?
The InChIKey is RRJBLMIIOWAQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-2-9-21-11-6-4-3-5-10(11)13-18-14-12(15(20)19-13)16-7-8-17-14/h3-8H,2,9H2,1H3,(H,17,18,19,20).
What are the key properties of 2-(2-propoxyphenyl)-3H-pteridin-4-one?
2-(2-propoxyphenyl)-3H-pteridin-4-one has a molecular weight of 282.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propoxyphenyl)-3H-pteridin-4-one is sourced from PubChem (CID 135670793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).