4-N-(2,6-difluorophenyl)-5-nitropyrimidine-4,6-diamine

C10H7F2N5O2 — CID 2959694

IUPAC4-N-(2,6-difluorophenyl)-5-nitropyrimidine-4,6-diamine
SMILESNc1ncnc(Nc2c(F)cccc2F)c1[N+](=O)[O-]
InChIInChI=1S/C10H7F2N5O2/c11-5-2-1-3-6(12)7(5)16-10-8(17(18)19)9(13)14-4-15-10/h1-4H,(H3,13,14,15,16)
InChIKeyMXBSZEMPZJIZHM-UHFFFAOYSA-N
MW267.19 g/mol
LogP1.99
Rot. Bonds3

About 4-N-(2,6-difluorophenyl)-5-nitropyrimidine-4,6-diamine

4-N-(2,6-difluorophenyl)-5-nitropyrimidine-4,6-diamine (PubChem CID 2959694) has the molecular formula C10H7F2N5O2 and a molecular weight of 267.19 g/mol. Its IUPAC name is 4-N-(2,6-difluorophenyl)-5-nitropyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,6-difluorophenyl)-5-nitropyrimidine-4,6-diamine
PubChem CID2959694
Molecular FormulaC10H7F2N5O2
Molecular Weight267.19 g/mol
Exact Mass267.06
IUPAC Name4-N-(2,6-difluorophenyl)-5-nitropyrimidine-4,6-diamine
SMILESNc1ncnc(Nc2c(F)cccc2F)c1[N+](=O)[O-]
InChIInChI=1S/C10H7F2N5O2/c11-5-2-1-3-6(12)7(5)16-10-8(17(18)19)9(13)14-4-15-10/h1-4H,(H3,13,14,15,16)
InChIKeyMXBSZEMPZJIZHM-UHFFFAOYSA-N
XLogP1.99
TPSA106.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.19
LogP ≤ 51.99
H-Bond Donors ≤ 52
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'}

Analyze 4-N-(2,6-difluorophenyl)-5-nitropyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(3,4-difluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 2960519
5-nitro-4-N-(3-nitrophenyl)pyrimidine-4,6-diamine
CID 4140408
4-N-(2,6-difluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 80754871
4-N-[1-(2-fluorophenyl)ethyl]-5-nitropyrimidine-4,6-diamine
CID 80802205
5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine
CID 23489047
2-[(6-amino-5-nitropyrimidin-4-yl)amino]-3-methoxybenzonitrile
CID 107470005
4-N-(2-chloro-3-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23987495
4-N-(2-ethylphenyl)-5-nitropyrimidine-4,6-diamine
CID 2959709
5-nitro-4-N-(3-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 80759446
4-N-[(3-fluorophenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 80771132
4-N-(2,3-dihydro-1H-inden-2-yl)-5-nitropyrimidine-4,6-diamine
CID 107855427
4-N-(5-bromo-4-fluoro-2-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 107594461

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-difluorophenyl)-5-nitropyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,6-difluorophenyl)-5-nitropyrimidine-4,6-diamine (CID 2959694) is 4-N-(2,6-difluorophenyl)-5-nitropyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,6-difluorophenyl)-5-nitropyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,6-difluorophenyl)-5-nitropyrimidine-4,6-diamine is Nc1ncnc(Nc2c(F)cccc2F)c1[N+](=O)[O-].
What is the InChIKey of 4-N-(2,6-difluorophenyl)-5-nitropyrimidine-4,6-diamine?
The InChIKey is MXBSZEMPZJIZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N5O2/c11-5-2-1-3-6(12)7(5)16-10-8(17(18)19)9(13)14-4-15-10/h1-4H,(H3,13,14,15,16).
What are the key properties of 4-N-(2,6-difluorophenyl)-5-nitropyrimidine-4,6-diamine?
4-N-(2,6-difluorophenyl)-5-nitropyrimidine-4,6-diamine has a molecular weight of 267.19 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-difluorophenyl)-5-nitropyrimidine-4,6-diamine is sourced from PubChem (CID 2959694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).