1-[4-ethoxy-3-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenyl]ethanone

C19H23N3O2 — CID 167957058

IUPAC1-[4-ethoxy-3-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenyl]ethanone
SMILESCCOc1ccc(C(C)=O)cc1CN1CCc2nc(C)ncc2C1
InChIInChI=1S/C19H23N3O2/c1-4-24-19-6-5-15(13(2)23)9-16(19)11-22-8-7-18-17(12-22)10-20-14(3)21-18/h5-6,9-10H,4,7-8,11-12H2,1-3H3
InChIKeyXWGOIPOWMDPJHM-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.94
Rot. Bonds5

About 1-[4-ethoxy-3-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenyl]ethanone

1-[4-ethoxy-3-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenyl]ethanone (PubChem CID 167957058) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[4-ethoxy-3-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-ethoxy-3-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenyl]ethanone
PubChem CID167957058
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-[4-ethoxy-3-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenyl]ethanone
SMILESCCOc1ccc(C(C)=O)cc1CN1CCc2nc(C)ncc2C1
InChIInChI=1S/C19H23N3O2/c1-4-24-19-6-5-15(13(2)23)9-16(19)11-22-8-7-18-17(12-22)10-20-14(3)21-18/h5-6,9-10H,4,7-8,11-12H2,1-3H3
InChIKeyXWGOIPOWMDPJHM-UHFFFAOYSA-N
XLogP2.94
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(azepan-1-ylmethyl)-4-ethoxyphenyl]ethanone
CID 60644688
6-[(2,5-diethoxyphenyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928738
6-[(2,5-diethoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928735
6-[(2-ethoxyphenyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929368
ethyl 3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoate
CID 126630231
1-[(5-acetyl-2-ethoxyphenyl)methyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119903837
6-[(2-chloro-3-methoxyphenyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929133
6-[(2,6-dichloro-3-pyridinyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916719
6-[(3,4-diethoxyphenyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929977
6-[(2,6-dimethylphenyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928986
1-[4-ethoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]ethanone
CID 60724560
methyl 3-[6-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzoate
CID 24916635

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethoxy-3-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenyl]ethanone?
The IUPAC name of 1-[4-ethoxy-3-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenyl]ethanone (CID 167957058) is 1-[4-ethoxy-3-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-ethoxy-3-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-ethoxy-3-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenyl]ethanone is CCOc1ccc(C(C)=O)cc1CN1CCc2nc(C)ncc2C1.
What is the InChIKey of 1-[4-ethoxy-3-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenyl]ethanone?
The InChIKey is XWGOIPOWMDPJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-4-24-19-6-5-15(13(2)23)9-16(19)11-22-8-7-18-17(12-22)10-20-14(3)21-18/h5-6,9-10H,4,7-8,11-12H2,1-3H3.
What are the key properties of 1-[4-ethoxy-3-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenyl]ethanone?
1-[4-ethoxy-3-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenyl]ethanone has a molecular weight of 325.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethoxy-3-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenyl]ethanone is sourced from PubChem (CID 167957058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).