2-amino-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one

C14H13N5O3 — CID 67329142

IUPAC2-amino-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
SMILESCc1ccc([N+](=O)[O-])cc1N1CCc2nc(N)ncc2C1=O
InChIInChI=1S/C14H13N5O3/c1-8-2-3-9(19(21)22)6-12(8)18-5-4-11-10(13(18)20)7-16-14(15)17-11/h2-3,6-7H,4-5H2,1H3,(H2,15,16,17)
InChIKeyKOZBRHBUOXMYFC-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.48
Rot. Bonds2

About 2-amino-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one

2-amino-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one (PubChem CID 67329142) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is 2-amino-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
PubChem CID67329142
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC Name2-amino-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
SMILESCc1ccc([N+](=O)[O-])cc1N1CCc2nc(N)ncc2C1=O
InChIInChI=1S/C14H13N5O3/c1-8-2-3-9(19(21)22)6-12(8)18-5-4-11-10(13(18)20)7-16-14(15)17-11/h2-3,6-7H,4-5H2,1H3,(H2,15,16,17)
InChIKeyKOZBRHBUOXMYFC-UHFFFAOYSA-N
XLogP1.48
TPSA115.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

7-chloro-1-methyl-3-(2-methyl-5-nitrophenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 134304577
1-(2-methyl-5-nitrophenyl)piperidin-4-amine
CID 62589225
1-(2-methyl-5-nitrophenyl)pyrazole
CID 175295716
1-(2-methyl-5-nitrophenyl)azetidin-3-amine
CID 65249583
(1R,2S,6S,7R)-4-(2-methyl-5-nitrophenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 98247564
5-methyl-4-(3-nitrophenyl)pyrimidin-2-amine
CID 10331419
5-amino-4-cyano-1-(2-methyl-5-nitrophenyl)pyrazole-3-carboxylic acid
CID 82589934
3-(2-methyl-5-nitrophenyl)-1,2,4-oxadiazol-5-amine
CID 62469803
17-(2-methyl-5-nitrophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 3111645
5-bromo-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine
CID 66304278
4-fluoro-1-(2-methyl-5-nitrophenyl)pyrazole
CID 176677462
5-ethyl-1-(2-methyl-5-nitrophenyl)triazol-4-amine
CID 79507650

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-amino-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one (CID 67329142) is 2-amino-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one is Cc1ccc([N+](=O)[O-])cc1N1CCc2nc(N)ncc2C1=O.
What is the InChIKey of 2-amino-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The InChIKey is KOZBRHBUOXMYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3/c1-8-2-3-9(19(21)22)6-12(8)18-5-4-11-10(13(18)20)7-16-14(15)17-11/h2-3,6-7H,4-5H2,1H3,(H2,15,16,17).
What are the key properties of 2-amino-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
2-amino-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one has a molecular weight of 299.29 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 67329142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).