6-benzyl-4-ethoxy-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one

C16H19N3O2 — CID 134914509

IUPAC6-benzyl-4-ethoxy-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one
SMILESCCOc1nc(=O)[nH]c2c1CN(Cc1ccccc1)CC2
InChIInChI=1S/C16H19N3O2/c1-2-21-15-13-11-19(10-12-6-4-3-5-7-12)9-8-14(13)17-16(20)18-15/h3-7H,2,8-11H2,1H3,(H,17,18,20)
InChIKeyRNDMILKFHSJQMS-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.73
Rot. Bonds4

About 6-benzyl-4-ethoxy-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one

6-benzyl-4-ethoxy-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one (PubChem CID 134914509) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 6-benzyl-4-ethoxy-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name6-benzyl-4-ethoxy-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one
PubChem CID134914509
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name6-benzyl-4-ethoxy-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one
SMILESCCOc1nc(=O)[nH]c2c1CN(Cc1ccccc1)CC2
InChIInChI=1S/C16H19N3O2/c1-2-21-15-13-11-19(10-12-6-4-3-5-7-12)9-8-14(13)17-16(20)18-15/h3-7H,2,8-11H2,1H3,(H,17,18,20)
InChIKeyRNDMILKFHSJQMS-UHFFFAOYSA-N
XLogP1.73
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-ethoxy-5-methylpyrimidin-2(1H)-one
CID 145998114
4-ethoxy-1-N'-[(4-fluorophenyl)methyl]-5-isocyanatocyclohexa-2,4-diene-1,1-diamine
CID 88345788
1,1'-(1,4-Phenylenebis(methylene))bis(4-ethoxy-5-methylpyrimidin-2(1h)-one)
CID 156620366
(8-Benzyl-4-ethyl-1-oxa-8-azaspiro[4.5]dec-3-en-3-yl)urea
CID 118149649
1-[(Z)-1-butoxy-6-methoxyhex-4-en-3-ylidene]-3-(1-phenylethyl)urea
CID 123603167
ethyl 4-amino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboximidate
CID 143937144
7-Benzyl-2-chloro-4-methoxy-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-ol
CID 175579834
1-Benzyl-4-methoxy-6-methylpyrimidin-2-one
CID 10398957
1-benzyl-3-[(4E)-3-(3-methoxypropyl)-2-oxo-1,2,3,4-tetrahydroquinazolin-4-ylidene]urea
CID 18584973
6-Benzyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one
CID 133632354

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4-ethoxy-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one?
The IUPAC name of 6-benzyl-4-ethoxy-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one (CID 134914509) is 6-benzyl-4-ethoxy-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one.
What is the SMILES notation for 6-benzyl-4-ethoxy-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one?
The canonical SMILES for 6-benzyl-4-ethoxy-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one is CCOc1nc(=O)[nH]c2c1CN(Cc1ccccc1)CC2.
What is the InChIKey of 6-benzyl-4-ethoxy-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one?
The InChIKey is RNDMILKFHSJQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-21-15-13-11-19(10-12-6-4-3-5-7-12)9-8-14(13)17-16(20)18-15/h3-7H,2,8-11H2,1H3,(H,17,18,20).
What are the key properties of 6-benzyl-4-ethoxy-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one?
6-benzyl-4-ethoxy-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one has a molecular weight of 285.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-ethoxy-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 134914509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).