6-(2-propoxyphenyl)-7H-pyrimido[5,4-d]pyrimidin-8-one

C15H14N4O2 — CID 135559157

IUPAC6-(2-propoxyphenyl)-7H-pyrimido[5,4-d]pyrimidin-8-one
SMILESCCCOc1ccccc1-c1nc2cncnc2c(=O)[nH]1
InChIInChI=1S/C15H14N4O2/c1-2-7-21-12-6-4-3-5-10(12)14-18-11-8-16-9-17-13(11)15(20)19-14/h3-6,8-9H,2,7H2,1H3,(H,18,19,20)
InChIKeyGMSGXUOOXHIXLX-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.17
Rot. Bonds4

About 6-(2-propoxyphenyl)-7H-pyrimido[5,4-d]pyrimidin-8-one

6-(2-propoxyphenyl)-7H-pyrimido[5,4-d]pyrimidin-8-one (PubChem CID 135559157) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 6-(2-propoxyphenyl)-7H-pyrimido[5,4-d]pyrimidin-8-one.

Molecular Properties

Compound Name6-(2-propoxyphenyl)-7H-pyrimido[5,4-d]pyrimidin-8-one
PubChem CID135559157
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name6-(2-propoxyphenyl)-7H-pyrimido[5,4-d]pyrimidin-8-one
SMILESCCCOc1ccccc1-c1nc2cncnc2c(=O)[nH]1
InChIInChI=1S/C15H14N4O2/c1-2-7-21-12-6-4-3-5-10(12)14-18-11-8-16-9-17-13(11)15(20)19-14/h3-6,8-9H,2,7H2,1H3,(H,18,19,20)
InChIKeyGMSGXUOOXHIXLX-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

2-(2-propoxyphenyl)-3H-pteridin-4-one
CID 135670793
2-(2-ethoxyphenyl)-3H-pyrido[3,2-d]pyrimidin-4-one
CID 135670755
6-(2-propoxyphenyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135456702
3-(methylamino)-6-(2-propoxyphenyl)-7H-pyrimido[4,5-e][1,2,4]triazin-8-one
CID 135670774
2-hydrazinyl-7-(2-propoxyphenyl)-6H-pyrimido[4,5-d]pyrimidin-5-one
CID 135670787
2-(2-pentoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride
CID 45259699
2-(2-propoxyphenyl)-4-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one
CID 135845406
3-methyl-8-(2-propoxyphenyl)-6-propyl-9H-[1,2,4]triazolo[3,4-f]purin-5-one
CID 135788365
2-methoxy-6-(2-propoxyphenyl)-1H-1,3,5-triazine-4-thione
CID 106521583
N-[6-oxo-2-(2-propoxyphenyl)-1H-pyrimidin-4-yl]propanamide
CID 135482146
2-[2-[5-[2-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole
CID 25255578
8-(4-hydroxynonan-3-yl)-2-(2-propoxyphenyl)-3H-quinazolin-4-one
CID 135494406

Frequently Asked Questions

What is the IUPAC name of 6-(2-propoxyphenyl)-7H-pyrimido[5,4-d]pyrimidin-8-one?
The IUPAC name of 6-(2-propoxyphenyl)-7H-pyrimido[5,4-d]pyrimidin-8-one (CID 135559157) is 6-(2-propoxyphenyl)-7H-pyrimido[5,4-d]pyrimidin-8-one.
What is the SMILES notation for 6-(2-propoxyphenyl)-7H-pyrimido[5,4-d]pyrimidin-8-one?
The canonical SMILES for 6-(2-propoxyphenyl)-7H-pyrimido[5,4-d]pyrimidin-8-one is CCCOc1ccccc1-c1nc2cncnc2c(=O)[nH]1.
What is the InChIKey of 6-(2-propoxyphenyl)-7H-pyrimido[5,4-d]pyrimidin-8-one?
The InChIKey is GMSGXUOOXHIXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-2-7-21-12-6-4-3-5-10(12)14-18-11-8-16-9-17-13(11)15(20)19-14/h3-6,8-9H,2,7H2,1H3,(H,18,19,20).
What are the key properties of 6-(2-propoxyphenyl)-7H-pyrimido[5,4-d]pyrimidin-8-one?
6-(2-propoxyphenyl)-7H-pyrimido[5,4-d]pyrimidin-8-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 6-(2-propoxyphenyl)-7H-pyrimido[5,4-d]pyrimidin-8-one is sourced from PubChem (CID 135559157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).