4,8-dimethyl-2-[4-(oxan-2-yloxy)butoxy]pyrido[2,3-d]pyrimidin-7-one

C18H25N3O4 — CID 21073385

IUPAC4,8-dimethyl-2-[4-(oxan-2-yloxy)butoxy]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(OCCCCOC2CCCCO2)nc2c1ccc(=O)n2C
InChIInChI=1S/C18H25N3O4/c1-13-14-8-9-15(22)21(2)17(14)20-18(19-13)25-12-6-5-11-24-16-7-3-4-10-23-16/h8-9,16H,3-7,10-12H2,1-2H3
InChIKeyMNMSYCOVWQAZGX-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.34
Rot. Bonds7

About 4,8-dimethyl-2-[4-(oxan-2-yloxy)butoxy]pyrido[2,3-d]pyrimidin-7-one

4,8-dimethyl-2-[4-(oxan-2-yloxy)butoxy]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 21073385) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4,8-dimethyl-2-[4-(oxan-2-yloxy)butoxy]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4,8-dimethyl-2-[4-(oxan-2-yloxy)butoxy]pyrido[2,3-d]pyrimidin-7-one
PubChem CID21073385
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name4,8-dimethyl-2-[4-(oxan-2-yloxy)butoxy]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(OCCCCOC2CCCCO2)nc2c1ccc(=O)n2C
InChIInChI=1S/C18H25N3O4/c1-13-14-8-9-15(22)21(2)17(14)20-18(19-13)25-12-6-5-11-24-16-7-3-4-10-23-16/h8-9,16H,3-7,10-12H2,1-2H3
InChIKeyMNMSYCOVWQAZGX-UHFFFAOYSA-N
XLogP2.34
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-nitro-3-[2-(oxan-2-yloxy)ethoxy]pyridine
CID 66600765
trimethyl-[4-(oxan-2-yloxy)butoxy]silane
CID 11218840
ethyl 2-[3-(oxan-2-yloxy)propyl]pyrazole-3-carboxylate
CID 166889045
1,3-dimethyl-7-[2-(oxan-2-yloxy)ethyl]purine-2,6-dione
CID 129249496
2-[4-[2-(dimethylamino)ethoxy]anilino]-8-[3-(oxan-2-yloxy)propyl]pyrido[2,3-d]pyrimidin-7-one
CID 10276758
6-amino-3-methyl-1-[3-(oxan-2-yloxy)propyl]quinolin-2-one
CID 155111203
6-(2-fluorophenyl)-2-[2-[(2S)-oxan-2-yl]oxyethyl]pyridazin-3-one
CID 99842273
5-bromo-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one
CID 172614475
1-(1,5-dimethylimidazol-4-yl)-4-(oxan-2-yloxy)butan-1-one
CID 59725815
3,7-dimethyl-8-nitro-1-[3-(oxan-2-yloxy)propyl]purine-2,6-dione
CID 10067525
1-[4-(oxan-2-yloxy)butyl]pyrrolidin-2-one
CID 10977596
2-[2-(oxan-2-yloxy)ethyl]phthalazin-1-one
CID 19979310

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-2-[4-(oxan-2-yloxy)butoxy]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4,8-dimethyl-2-[4-(oxan-2-yloxy)butoxy]pyrido[2,3-d]pyrimidin-7-one (CID 21073385) is 4,8-dimethyl-2-[4-(oxan-2-yloxy)butoxy]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4,8-dimethyl-2-[4-(oxan-2-yloxy)butoxy]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4,8-dimethyl-2-[4-(oxan-2-yloxy)butoxy]pyrido[2,3-d]pyrimidin-7-one is Cc1nc(OCCCCOC2CCCCO2)nc2c1ccc(=O)n2C.
What is the InChIKey of 4,8-dimethyl-2-[4-(oxan-2-yloxy)butoxy]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is MNMSYCOVWQAZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-13-14-8-9-15(22)21(2)17(14)20-18(19-13)25-12-6-5-11-24-16-7-3-4-10-23-16/h8-9,16H,3-7,10-12H2,1-2H3.
What are the key properties of 4,8-dimethyl-2-[4-(oxan-2-yloxy)butoxy]pyrido[2,3-d]pyrimidin-7-one?
4,8-dimethyl-2-[4-(oxan-2-yloxy)butoxy]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 347.42 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-2-[4-(oxan-2-yloxy)butoxy]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 21073385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).