2-iodo-4-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C8H8IN3O — CID 139502494

IUPAC2-iodo-4-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(I)nc2c1CCC(=O)N2
InChIInChI=1S/C8H8IN3O/c1-4-5-2-3-6(13)11-7(5)12-8(9)10-4/h2-3H2,1H3,(H,10,11,12,13)
InChIKeyKQJDBZBPADWRCX-UHFFFAOYSA-N
MW289.08 g/mol
LogP1.27
Rot. Bonds

About 2-iodo-4-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

2-iodo-4-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 139502494) has the molecular formula C8H8IN3O and a molecular weight of 289.08 g/mol. Its IUPAC name is 2-iodo-4-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-iodo-4-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID139502494
Molecular FormulaC8H8IN3O
Molecular Weight289.08 g/mol
Exact Mass288.97
IUPAC Name2-iodo-4-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(I)nc2c1CCC(=O)N2
InChIInChI=1S/C8H8IN3O/c1-4-5-2-3-6(13)11-7(5)12-8(9)10-4/h2-3H2,1H3,(H,10,11,12,13)
InChIKeyKQJDBZBPADWRCX-UHFFFAOYSA-N
XLogP1.27
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.08
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 14916841
4-chloro-2-ethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 145497399
5-iodo-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 135395291
6-ethyl-7-(hydroxymethyl)-5-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 123965419
4-chloro-2-(dimethoxymethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 86628369
ethane;7-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 143189329
(4,6-dimethyl-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-5-yl) acetate
CID 142739966
hydron;pyrrolidine-2,5-dione
CID 174652792
CID 70395227
CID 70395227
CID 157384744
CID 157384744
4-propyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 59421424
6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 20752822

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-iodo-4-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 139502494) is 2-iodo-4-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-iodo-4-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-iodo-4-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is Cc1nc(I)nc2c1CCC(=O)N2.
What is the InChIKey of 2-iodo-4-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is KQJDBZBPADWRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8IN3O/c1-4-5-2-3-6(13)11-7(5)12-8(9)10-4/h2-3H2,1H3,(H,10,11,12,13).
What are the key properties of 2-iodo-4-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
2-iodo-4-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 289.08 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 139502494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).