3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;molecular hydrogen

C8H11N3O — CID 143776107

IUPAC3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;molecular hydrogen
SMILESCN1Cc2cccnc2NC1=O.[H][H]
InChIInChI=1S/C8H9N3O.H2/c1-11-5-6-3-2-4-9-7(6)10-8(11)12;/h2-4H,5H2,1H3,(H,9,10,12);1H
InChIKeyDGPYOVFLGVEHDW-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.30
Rot. Bonds

About 3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;molecular hydrogen

3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;molecular hydrogen (PubChem CID 143776107) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;molecular hydrogen.

Molecular Properties

Compound Name3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;molecular hydrogen
PubChem CID143776107
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;molecular hydrogen
SMILESCN1Cc2cccnc2NC1=O.[H][H]
InChIInChI=1S/C8H9N3O.H2/c1-11-5-6-3-2-4-9-7(6)10-8(11)12;/h2-4H,5H2,1H3,(H,9,10,12);1H
InChIKeyDGPYOVFLGVEHDW-UHFFFAOYSA-N
XLogP1.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one
CID 162520423
6-bromo-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
CID 22139127
5-chloro-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
CID 70497178
3-(pyridin-2-ylmethylideneamino)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
CID 67574475
1-(4-fluorophenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidin-2-one
CID 13259319
(7S)-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one
CID 46894964
6,8-dimethyl-5,8-dihydro-1,6-naphthyridin-7-one
CID 142177840
5-cyclopropyl-1,2,3,6-tetrahydropyrido[2,3-b][1,5]diazocin-4-one
CID 52938021
ethane;3-methyl-1,4-dihydropyrido[3,4-d]pyrimidin-2-one
CID 143776228
9-methyl-5,10-dihydrobenzo[b][1,8]naphthyridine
CID 10330313
7-(hydroxymethyl)-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one
CID 23157087
7-iodo-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one
CID 19067074

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;molecular hydrogen?
The IUPAC name of 3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;molecular hydrogen (CID 143776107) is 3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;molecular hydrogen.
What is the SMILES notation for 3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;molecular hydrogen?
The canonical SMILES for 3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;molecular hydrogen is CN1Cc2cccnc2NC1=O.[H][H].
What is the InChIKey of 3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;molecular hydrogen?
The InChIKey is DGPYOVFLGVEHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O.H2/c1-11-5-6-3-2-4-9-7(6)10-8(11)12;/h2-4H,5H2,1H3,(H,9,10,12);1H.
What are the key properties of 3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;molecular hydrogen?
3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;molecular hydrogen has a molecular weight of 165.20 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;molecular hydrogen is sourced from PubChem (CID 143776107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).