2-amino-4-(4-nitrophenyl)indeno[1,2-d]pyrimidin-5-one

C17H10N4O3 — CID 127028908

IUPAC2-amino-4-(4-nitrophenyl)indeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccc([N+](=O)[O-])cc2)c2c(n1)-c1ccccc1C2=O
InChIInChI=1S/C17H10N4O3/c18-17-19-14(9-5-7-10(8-6-9)21(23)24)13-15(20-17)11-3-1-2-4-12(11)16(13)22/h1-8H,(H2,18,19,20)
InChIKeyRNVTWWDCJHGABR-UHFFFAOYSA-N
MW318.29 g/mol
LogP2.85
Rot. Bonds2

About 2-amino-4-(4-nitrophenyl)indeno[1,2-d]pyrimidin-5-one

2-amino-4-(4-nitrophenyl)indeno[1,2-d]pyrimidin-5-one (PubChem CID 127028908) has the molecular formula C17H10N4O3 and a molecular weight of 318.29 g/mol. Its IUPAC name is 2-amino-4-(4-nitrophenyl)indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-(4-nitrophenyl)indeno[1,2-d]pyrimidin-5-one
PubChem CID127028908
Molecular FormulaC17H10N4O3
Molecular Weight318.29 g/mol
Exact Mass318.08
IUPAC Name2-amino-4-(4-nitrophenyl)indeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccc([N+](=O)[O-])cc2)c2c(n1)-c1ccccc1C2=O
InChIInChI=1S/C17H10N4O3/c18-17-19-14(9-5-7-10(8-6-9)21(23)24)13-15(20-17)11-3-1-2-4-12(11)16(13)22/h1-8H,(H2,18,19,20)
InChIKeyRNVTWWDCJHGABR-UHFFFAOYSA-N
XLogP2.85
TPSA112.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 52.85
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

1-amino-2-(4-nitrophenyl)anthracene-9,10-dione
CID 174815967
1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
CID 102592061
2-amino-4-methyl-6-(4-nitrophenyl)pyrimidine-5-carboxylic acid
CID 54851306
4-(1,3-benzodioxol-5-yl)-2-[2-(4-nitrophenyl)ethenyl]-5-oxoindeno[1,2-b]pyridine-3-carbonitrile
CID 3272114
4-(4-diphenylphosphorylphenyl)-2-phenylindeno[1,2-d]pyrimidin-5-one
CID 118372598
4-[3-(4-nitrophenyl)pyrazin-2-yl]naphthalen-1-amine
CID 69408395
2-(2-methylphenyl)-3-(4-nitrophenyl)pyrazine
CID 126530724
5-[[(Z)-3-(4-nitrophenyl)prop-2-enylidene]amino]-6-phenylpyrimidine-2,4-diamine
CID 54609988
2-(4-nitrophenyl)benzo[f][1]benzofuran-4,9-dione
CID 14592583
2,3-bis(4-nitrophenyl)naphthalen-1-amine
CID 139604402
3-(4-nitrophenyl)-1,4-benzoxazin-2-one
CID 139215522
1-(4-nitroanilino)anthracene-9,10-dione
CID 631257

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-nitrophenyl)indeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-(4-nitrophenyl)indeno[1,2-d]pyrimidin-5-one (CID 127028908) is 2-amino-4-(4-nitrophenyl)indeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-(4-nitrophenyl)indeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-(4-nitrophenyl)indeno[1,2-d]pyrimidin-5-one is Nc1nc(-c2ccc([N+](=O)[O-])cc2)c2c(n1)-c1ccccc1C2=O.
What is the InChIKey of 2-amino-4-(4-nitrophenyl)indeno[1,2-d]pyrimidin-5-one?
The InChIKey is RNVTWWDCJHGABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4O3/c18-17-19-14(9-5-7-10(8-6-9)21(23)24)13-15(20-17)11-3-1-2-4-12(11)16(13)22/h1-8H,(H2,18,19,20).
What are the key properties of 2-amino-4-(4-nitrophenyl)indeno[1,2-d]pyrimidin-5-one?
2-amino-4-(4-nitrophenyl)indeno[1,2-d]pyrimidin-5-one has a molecular weight of 318.29 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-nitrophenyl)indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 127028908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).