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

C16H15N3O2 — CID 134810878

IUPAC3-(2-methoxyethyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one
SMILESCOCCn1cnc2ccc(-c3ccccc3)nc2c1=O
InChIInChI=1S/C16H15N3O2/c1-21-10-9-19-11-17-14-8-7-13(18-15(14)16(19)20)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3
InChIKeyPGIVFBGJZKEYHL-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.10
Rot. Bonds4

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

3-(2-methoxyethyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one (PubChem CID 134810878) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one
PubChem CID134810878
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name3-(2-methoxyethyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one
SMILESCOCCn1cnc2ccc(-c3ccccc3)nc2c1=O
InChIInChI=1S/C16H15N3O2/c1-21-10-9-19-11-17-14-8-7-13(18-15(14)16(19)20)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3
InChIKeyPGIVFBGJZKEYHL-UHFFFAOYSA-N
XLogP2.10
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-fluoro-5-methyl-3-[2-(morpholin-4-yl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
CID 666142
5-methyl-3-[3-(morpholin-4-yl)propyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
CID 666243
6-(3-Chloro-4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810852
2-(3-Methyl-1-oxo-5-phenylpyrimido[4,5-c]quinolin-2-yl)acetic acid
CID 145957906
3-methyl-5,7-bis(4-morpholinophenyl)pyrido[4,3-d]pyrimidin-4(3H)-one
CID 66959982
3-(2-Methoxyethyl)-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one
CID 134805614
5-methyl-3-[2-(morpholin-4-yl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
CID 666735
3-(2,4-Difluorophenyl)-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one
CID 134805921
3-(2,4-Difluorophenyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one
CID 134808323
3-Methyl-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one
CID 134808333
N-[3-[3-(2,4-difluorophenyl)-4-oxopyrido[3,2-d]pyrimidin-6-yl]phenyl]acetamide
CID 134808652
1-Benzyl-6-(2,4-difluorophenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810710

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one (CID 134810878) is 3-(2-methoxyethyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one is COCCn1cnc2ccc(-c3ccccc3)nc2c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one?
The InChIKey is PGIVFBGJZKEYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-21-10-9-19-11-17-14-8-7-13(18-15(14)16(19)20)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3.
What are the key properties of 3-(2-methoxyethyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one?
3-(2-methoxyethyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one has a molecular weight of 281.32 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134810878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).