6-(cyclopropylmethoxy)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one

C14H17N3O3 — CID 134810948

IUPAC6-(cyclopropylmethoxy)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOCCn1cnc2ccc(OCC3CC3)nc2c1=O
InChIInChI=1S/C14H17N3O3/c1-19-7-6-17-9-15-11-4-5-12(16-13(11)14(17)18)20-8-10-2-3-10/h4-5,9-10H,2-3,6-8H2,1H3
InChIKeyJQJMWQLQYVPQKX-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.23
Rot. Bonds6

About 6-(cyclopropylmethoxy)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one

6-(cyclopropylmethoxy)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134810948) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one
PubChem CID134810948
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name6-(cyclopropylmethoxy)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOCCn1cnc2ccc(OCC3CC3)nc2c1=O
InChIInChI=1S/C14H17N3O3/c1-19-7-6-17-9-15-11-4-5-12(16-13(11)14(17)18)20-8-10-2-3-10/h4-5,9-10H,2-3,6-8H2,1H3
InChIKeyJQJMWQLQYVPQKX-UHFFFAOYSA-N
XLogP1.23
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(cyclopropylmethoxy)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one (CID 134810948) is 6-(cyclopropylmethoxy)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(cyclopropylmethoxy)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(cyclopropylmethoxy)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one is COCCn1cnc2ccc(OCC3CC3)nc2c1=O.
What is the InChIKey of 6-(cyclopropylmethoxy)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is JQJMWQLQYVPQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-19-7-6-17-9-15-11-4-5-12(16-13(11)14(17)18)20-8-10-2-3-10/h4-5,9-10H,2-3,6-8H2,1H3.
What are the key properties of 6-(cyclopropylmethoxy)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one?
6-(cyclopropylmethoxy)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 275.31 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134810948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).