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

C11H15N3O2 — CID 90620861

IUPAC1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-ethoxyethanone
SMILESCCOCC(=O)N1CCc2ncncc2C1
InChIInChI=1S/C11H15N3O2/c1-2-16-7-11(15)14-4-3-10-9(6-14)5-12-8-13-10/h5,8H,2-4,6-7H2,1H3
InChIKeyRITAYDNGIAKGTH-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.40
Rot. Bonds3

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

1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-ethoxyethanone (PubChem CID 90620861) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-ethoxyethanone.

Molecular Properties

Compound Name1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-ethoxyethanone
PubChem CID90620861
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-ethoxyethanone
SMILESCCOCC(=O)N1CCc2ncncc2C1
InChIInChI=1S/C11H15N3O2/c1-2-16-7-11(15)14-4-3-10-9(6-14)5-12-8-13-10/h5,8H,2-4,6-7H2,1H3
InChIKeyRITAYDNGIAKGTH-UHFFFAOYSA-N
XLogP0.40
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-ethoxyethanone
CID 90585315
1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(4-methoxyphenoxy)ethanone
CID 90620979
1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(4-methoxyphenyl)ethanone
CID 90620879
2-cyclohexyl-1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
CID 90621003
2-(4-chlorophenyl)-1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
CID 90620885
(E)-1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)but-2-en-1-one
CID 121145052
1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-5-phenylpentane-1,5-dione
CID 121145050
N-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]benzamide
CID 90620998
3-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one
CID 90621036
1-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-ethoxyethanone
CID 97463820
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methoxyethanone
CID 64592092
2-ethoxy-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone
CID 56879436

Frequently Asked Questions

What is the IUPAC name of 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-ethoxyethanone?
The IUPAC name of 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-ethoxyethanone (CID 90620861) is 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-ethoxyethanone.
What is the SMILES notation for 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-ethoxyethanone?
The canonical SMILES for 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-ethoxyethanone is CCOCC(=O)N1CCc2ncncc2C1.
What is the InChIKey of 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-ethoxyethanone?
The InChIKey is RITAYDNGIAKGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-16-7-11(15)14-4-3-10-9(6-14)5-12-8-13-10/h5,8H,2-4,6-7H2,1H3.
What are the key properties of 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-ethoxyethanone?
1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-ethoxyethanone has a molecular weight of 221.26 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-ethoxyethanone is sourced from PubChem (CID 90620861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).