5-(4-methoxyphenyl)-3-methyl-6-nitro-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione

C15H14N4O5 — CID 135025087

IUPAC5-(4-methoxyphenyl)-3-methyl-6-nitro-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(C2C([N+](=O)[O-])=CNc3[nH]c(=O)n(C)c(=O)c32)cc1
InChIInChI=1S/C15H14N4O5/c1-18-14(20)12-11(8-3-5-9(24-2)6-4-8)10(19(22)23)7-16-13(12)17-15(18)21/h3-7,11,16H,1-2H3,(H,17,21)
InChIKeyVMUMHEOEDLXBFI-UHFFFAOYSA-N
MW330.30 g/mol
LogP0.76
Rot. Bonds3

About 5-(4-methoxyphenyl)-3-methyl-6-nitro-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione

5-(4-methoxyphenyl)-3-methyl-6-nitro-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 135025087) has the molecular formula C15H14N4O5 and a molecular weight of 330.30 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-methyl-6-nitro-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-methyl-6-nitro-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID135025087
Molecular FormulaC15H14N4O5
Molecular Weight330.30 g/mol
Exact Mass330.10
IUPAC Name5-(4-methoxyphenyl)-3-methyl-6-nitro-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(C2C([N+](=O)[O-])=CNc3[nH]c(=O)n(C)c(=O)c32)cc1
InChIInChI=1S/C15H14N4O5/c1-18-14(20)12-11(8-3-5-9(24-2)6-4-8)10(19(22)23)7-16-13(12)17-15(18)21/h3-7,11,16H,1-2H3,(H,17,21)
InChIKeyVMUMHEOEDLXBFI-UHFFFAOYSA-N
XLogP0.76
TPSA119.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-methyl-6-nitro-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(4-methoxyphenyl)-3-methyl-6-nitro-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione (CID 135025087) is 5-(4-methoxyphenyl)-3-methyl-6-nitro-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-methyl-6-nitro-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-methoxyphenyl)-3-methyl-6-nitro-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione is COc1ccc(C2C([N+](=O)[O-])=CNc3[nH]c(=O)n(C)c(=O)c32)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-methyl-6-nitro-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is VMUMHEOEDLXBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O5/c1-18-14(20)12-11(8-3-5-9(24-2)6-4-8)10(19(22)23)7-16-13(12)17-15(18)21/h3-7,11,16H,1-2H3,(H,17,21).
What are the key properties of 5-(4-methoxyphenyl)-3-methyl-6-nitro-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
5-(4-methoxyphenyl)-3-methyl-6-nitro-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 330.30 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-methyl-6-nitro-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 135025087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).