2-N,4-N-dimethyl-3,6-dinitro-1,8-naphthyridine-2,4-diamine

C10H10N6O4 — CID 15448616

IUPAC2-N,4-N-dimethyl-3,6-dinitro-1,8-naphthyridine-2,4-diamine
SMILESCNc1nc2ncc([N+](=O)[O-])cc2c(NC)c1[N+](=O)[O-]
InChIInChI=1S/C10H10N6O4/c1-11-7-6-3-5(15(17)18)4-13-9(6)14-10(12-2)8(7)16(19)20/h3-4H,1-2H3,(H2,11,12,13,14)
InChIKeyLORWNFFGUVQMTR-UHFFFAOYSA-N
MW278.23 g/mol
LogP1.53
Rot. Bonds4

About 2-N,4-N-dimethyl-3,6-dinitro-1,8-naphthyridine-2,4-diamine

2-N,4-N-dimethyl-3,6-dinitro-1,8-naphthyridine-2,4-diamine (PubChem CID 15448616) has the molecular formula C10H10N6O4 and a molecular weight of 278.23 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-3,6-dinitro-1,8-naphthyridine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-3,6-dinitro-1,8-naphthyridine-2,4-diamine
PubChem CID15448616
Molecular FormulaC10H10N6O4
Molecular Weight278.23 g/mol
Exact Mass278.08
IUPAC Name2-N,4-N-dimethyl-3,6-dinitro-1,8-naphthyridine-2,4-diamine
SMILESCNc1nc2ncc([N+](=O)[O-])cc2c(NC)c1[N+](=O)[O-]
InChIInChI=1S/C10H10N6O4/c1-11-7-6-3-5(15(17)18)4-13-9(6)14-10(12-2)8(7)16(19)20/h3-4H,1-2H3,(H2,11,12,13,14)
InChIKeyLORWNFFGUVQMTR-UHFFFAOYSA-N
XLogP1.53
TPSA136.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

4-N-methyl-3,6-dinitro-2-N-phenyl-1,8-naphthyridine-2,4-diamine
CID 15448619
3-methoxy-N-methyl-5-nitropyridin-2-amine
CID 90022055
2-methyl-5-nitropyrazolo[3,4-b]pyridin-3-amine
CID 171705544
2-methoxy-6-nitro-[1,3]thiazolo[4,5-b]pyridine
CID 76850301
3-(4-methyl-6-nitro-1,8-naphthyridin-2-yl)-5-nitropyridin-2-amine
CID 44550526
N-tert-butyl-2-(methylamino)-5-nitropyridine-3-carboxamide
CID 114047907
6-nitro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137302564
5-nitro-3-(2,2,2-trifluoroethyl)-2H-pyrazolo[3,4-b]pyridine
CID 67089093
N,N-dimethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine
CID 58227806
1-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridin-3-one
CID 67989684
2,6-dibromo-N-methyl-4-nitroaniline
CID 67155784
4-N-methyl-5-nitro-2-N-(4-nitrophenyl)pyrimidine-2,4,6-triamine
CID 4677450

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-3,6-dinitro-1,8-naphthyridine-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-3,6-dinitro-1,8-naphthyridine-2,4-diamine (CID 15448616) is 2-N,4-N-dimethyl-3,6-dinitro-1,8-naphthyridine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-3,6-dinitro-1,8-naphthyridine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-3,6-dinitro-1,8-naphthyridine-2,4-diamine is CNc1nc2ncc([N+](=O)[O-])cc2c(NC)c1[N+](=O)[O-].
What is the InChIKey of 2-N,4-N-dimethyl-3,6-dinitro-1,8-naphthyridine-2,4-diamine?
The InChIKey is LORWNFFGUVQMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O4/c1-11-7-6-3-5(15(17)18)4-13-9(6)14-10(12-2)8(7)16(19)20/h3-4H,1-2H3,(H2,11,12,13,14).
What are the key properties of 2-N,4-N-dimethyl-3,6-dinitro-1,8-naphthyridine-2,4-diamine?
2-N,4-N-dimethyl-3,6-dinitro-1,8-naphthyridine-2,4-diamine has a molecular weight of 278.23 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-3,6-dinitro-1,8-naphthyridine-2,4-diamine is sourced from PubChem (CID 15448616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).