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

C10H7F2N5O2 — CID 56724461

IUPAC2-N-(2,4-difluorophenyl)-5-nitropyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccc(F)cc2F)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H7F2N5O2/c11-5-1-2-7(6(12)3-5)15-10-14-4-8(17(18)19)9(13)16-10/h1-4H,(H3,13,14,15,16)
InChIKeyZNWISCILHDGLII-UHFFFAOYSA-N
MW267.19 g/mol
LogP1.99
Rot. Bonds3

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

2-N-(2,4-difluorophenyl)-5-nitropyrimidine-2,4-diamine (PubChem CID 56724461) has the molecular formula C10H7F2N5O2 and a molecular weight of 267.19 g/mol. Its IUPAC name is 2-N-(2,4-difluorophenyl)-5-nitropyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,4-difluorophenyl)-5-nitropyrimidine-2,4-diamine
PubChem CID56724461
Molecular FormulaC10H7F2N5O2
Molecular Weight267.19 g/mol
Exact Mass267.06
IUPAC Name2-N-(2,4-difluorophenyl)-5-nitropyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccc(F)cc2F)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H7F2N5O2/c11-5-1-2-7(6(12)3-5)15-10-14-4-8(17(18)19)9(13)16-10/h1-4H,(H3,13,14,15,16)
InChIKeyZNWISCILHDGLII-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'}

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Related Compounds

2-N-[(3,5-difluorophenyl)methyl]-5-nitropyrimidine-2,4-diamine
CID 143177853
5-bromo-N-(2,4-difluorophenyl)-3-nitropyridin-2-amine
CID 61375850
2-N-[(3-fluorophenyl)-phenylmethyl]-5-nitropyrimidine-2,4-diamine
CID 133350499
2-N-[(2-fluorophenyl)methyl]-5-nitropyrimidine-2,4-diamine
CID 47158286
2-N-(2,4-difluorophenyl)-1,3,5-triazine-2,4-diamine
CID 2782901
2-[4-[(4-amino-5-nitropyrimidin-2-yl)amino]-2-fluorophenoxy]benzonitrile
CID 133332520
N-(2,4-difluorophenyl)-2,4,6-trinitroaniline
CID 21440770
5-nitro-2-N-[3-(2,2,2-trifluoroethyl)phenyl]pyrimidine-2,4-diamine
CID 133331779
5-nitro-2-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrimidine-2,4-diamine
CID 133347703
5-nitro-2-N-(3-pyridin-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 133332628
5-nitro-2-N-pentan-3-ylpyrimidine-2,4-diamine
CID 47277206
2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride
CID 71786108

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-difluorophenyl)-5-nitropyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,4-difluorophenyl)-5-nitropyrimidine-2,4-diamine (CID 56724461) is 2-N-(2,4-difluorophenyl)-5-nitropyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,4-difluorophenyl)-5-nitropyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,4-difluorophenyl)-5-nitropyrimidine-2,4-diamine is Nc1nc(Nc2ccc(F)cc2F)ncc1[N+](=O)[O-].
What is the InChIKey of 2-N-(2,4-difluorophenyl)-5-nitropyrimidine-2,4-diamine?
The InChIKey is ZNWISCILHDGLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N5O2/c11-5-1-2-7(6(12)3-5)15-10-14-4-8(17(18)19)9(13)16-10/h1-4H,(H3,13,14,15,16).
What are the key properties of 2-N-(2,4-difluorophenyl)-5-nitropyrimidine-2,4-diamine?
2-N-(2,4-difluorophenyl)-5-nitropyrimidine-2,4-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 2-N-(2,4-difluorophenyl)-5-nitropyrimidine-2,4-diamine is sourced from PubChem (CID 56724461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).