2-(5-amino-4-nitropyrimidin-2-yl)-4-nitropyrimidin-5-amine

C8H6N8O4 — CID 170901493

IUPAC2-(5-amino-4-nitropyrimidin-2-yl)-4-nitropyrimidin-5-amine
SMILESNc1cnc(-c2ncc(N)c([N+](=O)[O-])n2)nc1[N+](=O)[O-]
InChIInChI=1S/C8H6N8O4/c9-3-1-11-5(13-7(3)15(17)18)6-12-2-4(10)8(14-6)16(19)20/h1-2H,9-10H2
InChIKeyTXVZDZHNBMDDII-UHFFFAOYSA-N
MW278.19 g/mol
LogP-0.09
Rot. Bonds3

About 2-(5-amino-4-nitropyrimidin-2-yl)-4-nitropyrimidin-5-amine

2-(5-amino-4-nitropyrimidin-2-yl)-4-nitropyrimidin-5-amine (PubChem CID 170901493) has the molecular formula C8H6N8O4 and a molecular weight of 278.19 g/mol. Its IUPAC name is 2-(5-amino-4-nitropyrimidin-2-yl)-4-nitropyrimidin-5-amine.

Molecular Properties

Compound Name2-(5-amino-4-nitropyrimidin-2-yl)-4-nitropyrimidin-5-amine
PubChem CID170901493
Molecular FormulaC8H6N8O4
Molecular Weight278.19 g/mol
Exact Mass278.05
IUPAC Name2-(5-amino-4-nitropyrimidin-2-yl)-4-nitropyrimidin-5-amine
SMILESNc1cnc(-c2ncc(N)c([N+](=O)[O-])n2)nc1[N+](=O)[O-]
InChIInChI=1S/C8H6N8O4/c9-3-1-11-5(13-7(3)15(17)18)6-12-2-4(10)8(14-6)16(19)20/h1-2H,9-10H2
InChIKeyTXVZDZHNBMDDII-UHFFFAOYSA-N
XLogP-0.09
TPSA189.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

2-nitroquinolin-3-amine
CID 19034749
2,4-dinitropyridin-3-amine
CID 19034991
5-methoxy-2-nitropyridin-3-amine
CID 91619049
5-amino-3-(difluoromethyl)-2-nitropyridine-4-carboxylic acid
CID 134683272
6-nitro-2-N-propan-2-ylpyridine-2,5-diamine
CID 126985525
6-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine
CID 130102626
5-amino-2-nitropyridine-4-carboxylic acid
CID 127018665
[5-amino-2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol
CID 130106958
2-nitro-1H-imidazol-5-amine
CID 68978949
3-(difluoromethyl)-6-methoxy-2-nitropyridin-4-amine
CID 118840608
[5-amino-2-(difluoromethyl)-3-nitro-4-pyridinyl]methanol
CID 130106954
2-nitro-3-pyridin-3-ylpyridin-4-amine
CID 141377887

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-nitropyrimidin-2-yl)-4-nitropyrimidin-5-amine?
The IUPAC name of 2-(5-amino-4-nitropyrimidin-2-yl)-4-nitropyrimidin-5-amine (CID 170901493) is 2-(5-amino-4-nitropyrimidin-2-yl)-4-nitropyrimidin-5-amine.
What is the SMILES notation for 2-(5-amino-4-nitropyrimidin-2-yl)-4-nitropyrimidin-5-amine?
The canonical SMILES for 2-(5-amino-4-nitropyrimidin-2-yl)-4-nitropyrimidin-5-amine is Nc1cnc(-c2ncc(N)c([N+](=O)[O-])n2)nc1[N+](=O)[O-].
What is the InChIKey of 2-(5-amino-4-nitropyrimidin-2-yl)-4-nitropyrimidin-5-amine?
The InChIKey is TXVZDZHNBMDDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N8O4/c9-3-1-11-5(13-7(3)15(17)18)6-12-2-4(10)8(14-6)16(19)20/h1-2H,9-10H2.
What are the key properties of 2-(5-amino-4-nitropyrimidin-2-yl)-4-nitropyrimidin-5-amine?
2-(5-amino-4-nitropyrimidin-2-yl)-4-nitropyrimidin-5-amine has a molecular weight of 278.19 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-nitropyrimidin-2-yl)-4-nitropyrimidin-5-amine is sourced from PubChem (CID 170901493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).