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

C15H16N6O2 — CID 135670787

IUPAC2-hydrazinyl-7-(2-propoxyphenyl)-6H-pyrimido[4,5-d]pyrimidin-5-one
SMILESCCCOc1ccccc1-c1nc2nc(NN)ncc2c(=O)[nH]1
InChIInChI=1S/C15H16N6O2/c1-2-7-23-11-6-4-3-5-9(11)12-18-13-10(14(22)19-12)8-17-15(20-13)21-16/h3-6,8H,2,7,16H2,1H3,(H2,17,18,19,20,21,22)
InChIKeyOLOVNCMUOBKFSU-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.45
Rot. Bonds5

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

2-hydrazinyl-7-(2-propoxyphenyl)-6H-pyrimido[4,5-d]pyrimidin-5-one (PubChem CID 135670787) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-hydrazinyl-7-(2-propoxyphenyl)-6H-pyrimido[4,5-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-hydrazinyl-7-(2-propoxyphenyl)-6H-pyrimido[4,5-d]pyrimidin-5-one
PubChem CID135670787
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name2-hydrazinyl-7-(2-propoxyphenyl)-6H-pyrimido[4,5-d]pyrimidin-5-one
SMILESCCCOc1ccccc1-c1nc2nc(NN)ncc2c(=O)[nH]1
InChIInChI=1S/C15H16N6O2/c1-2-7-23-11-6-4-3-5-9(11)12-18-13-10(14(22)19-12)8-17-15(20-13)21-16/h3-6,8H,2,7,16H2,1H3,(H2,17,18,19,20,21,22)
InChIKeyOLOVNCMUOBKFSU-UHFFFAOYSA-N
XLogP1.45
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[[5-oxo-7-(2-propoxyphenyl)-6H-pyrimido[4,5-d]pyrimidin-2-yl]amino]propanoate
CID 135670771
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-(2-propoxyphenyl)-3H-pteridin-4-one
CID 135670793
6-(2-propoxyphenyl)-7H-pyrimido[5,4-d]pyrimidin-8-one
CID 135559157
N-[6-oxo-2-(2-propoxyphenyl)-1H-pyrimidin-4-yl]propanamide
CID 135482146
2-(2-ethoxyphenyl)-8-methoxy-3H-quinazolin-4-one
CID 135966513
2-(2-propoxyphenyl)-4-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one
CID 135845406
8-(4-hydroxynonan-3-yl)-2-(2-propoxyphenyl)-3H-quinazolin-4-one
CID 135494406
2-methoxy-6-(2-propoxyphenyl)-1H-1,3,5-triazine-4-thione
CID 106521583
4-(2-propoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 104663115
3-(7-oxo-2,6-dihydrotriazolo[4,5-d]pyrimidin-5-yl)-4-propoxybenzenesulfonamide
CID 135507452

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-7-(2-propoxyphenyl)-6H-pyrimido[4,5-d]pyrimidin-5-one?
The IUPAC name of 2-hydrazinyl-7-(2-propoxyphenyl)-6H-pyrimido[4,5-d]pyrimidin-5-one (CID 135670787) is 2-hydrazinyl-7-(2-propoxyphenyl)-6H-pyrimido[4,5-d]pyrimidin-5-one.
What is the SMILES notation for 2-hydrazinyl-7-(2-propoxyphenyl)-6H-pyrimido[4,5-d]pyrimidin-5-one?
The canonical SMILES for 2-hydrazinyl-7-(2-propoxyphenyl)-6H-pyrimido[4,5-d]pyrimidin-5-one is CCCOc1ccccc1-c1nc2nc(NN)ncc2c(=O)[nH]1.
What is the InChIKey of 2-hydrazinyl-7-(2-propoxyphenyl)-6H-pyrimido[4,5-d]pyrimidin-5-one?
The InChIKey is OLOVNCMUOBKFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-2-7-23-11-6-4-3-5-9(11)12-18-13-10(14(22)19-12)8-17-15(20-13)21-16/h3-6,8H,2,7,16H2,1H3,(H2,17,18,19,20,21,22).
What are the key properties of 2-hydrazinyl-7-(2-propoxyphenyl)-6H-pyrimido[4,5-d]pyrimidin-5-one?
2-hydrazinyl-7-(2-propoxyphenyl)-6H-pyrimido[4,5-d]pyrimidin-5-one has a molecular weight of 312.33 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-7-(2-propoxyphenyl)-6H-pyrimido[4,5-d]pyrimidin-5-one is sourced from PubChem (CID 135670787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).