7-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one

C16H20N6O3 — CID 66959719

IUPAC7-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCOCCNc1nc(-c2cnn(CCO)c2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C16H20N6O3/c1-21-10-18-13-7-12(11-8-19-22(9-11)4-5-23)20-15(14(13)16(21)24)17-3-6-25-2/h7-10,23H,3-6H2,1-2H3,(H,17,20)
InChIKeyYSVRYAKJWFYAML-UHFFFAOYSA-N
MW344.38 g/mol
LogP0.24
Rot. Bonds7

About 7-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one

7-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959719) has the molecular formula C16H20N6O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is 7-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID66959719
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC Name7-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCOCCNc1nc(-c2cnn(CCO)c2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C16H20N6O3/c1-21-10-18-13-7-12(11-8-19-22(9-11)4-5-23)20-15(14(13)16(21)24)17-3-6-25-2/h7-10,23H,3-6H2,1-2H3,(H,17,20)
InChIKeyYSVRYAKJWFYAML-UHFFFAOYSA-N
XLogP0.24
TPSA107.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 66959719) is 7-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one is COCCNc1nc(-c2cnn(CCO)c2)cc2ncn(C)c(=O)c12.
What is the InChIKey of 7-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is YSVRYAKJWFYAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3/c1-21-10-18-13-7-12(11-8-19-22(9-11)4-5-23)20-15(14(13)16(21)24)17-3-6-25-2/h7-10,23H,3-6H2,1-2H3,(H,17,20).
What are the key properties of 7-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one?
7-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 344.38 g/mol, XLogP of 0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).