2,6-dichloro-5-fluoro-N-(3-nitrophenyl)pyrimidin-4-amine

C10H5Cl2FN4O2 — CID 90244579

IUPAC2,6-dichloro-5-fluoro-N-(3-nitrophenyl)pyrimidin-4-amine
SMILESO=[N+]([O-])c1cccc(Nc2nc(Cl)nc(Cl)c2F)c1
InChIInChI=1S/C10H5Cl2FN4O2/c11-8-7(13)9(16-10(12)15-8)14-5-2-1-3-6(4-5)17(18)19/h1-4H,(H,14,15,16)
InChIKeyBLMPTDSMSRJVDT-UHFFFAOYSA-N
MW303.08 g/mol
LogP3.57
Rot. Bonds3

About 2,6-dichloro-5-fluoro-N-(3-nitrophenyl)pyrimidin-4-amine

2,6-dichloro-5-fluoro-N-(3-nitrophenyl)pyrimidin-4-amine (PubChem CID 90244579) has the molecular formula C10H5Cl2FN4O2 and a molecular weight of 303.08 g/mol. Its IUPAC name is 2,6-dichloro-5-fluoro-N-(3-nitrophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dichloro-5-fluoro-N-(3-nitrophenyl)pyrimidin-4-amine
PubChem CID90244579
Molecular FormulaC10H5Cl2FN4O2
Molecular Weight303.08 g/mol
Exact Mass301.98
IUPAC Name2,6-dichloro-5-fluoro-N-(3-nitrophenyl)pyrimidin-4-amine
SMILESO=[N+]([O-])c1cccc(Nc2nc(Cl)nc(Cl)c2F)c1
InChIInChI=1S/C10H5Cl2FN4O2/c11-8-7(13)9(16-10(12)15-8)14-5-2-1-3-6(4-5)17(18)19/h1-4H,(H,14,15,16)
InChIKeyBLMPTDSMSRJVDT-UHFFFAOYSA-N
XLogP3.57
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.08
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-chloro-N-(3-nitrophenyl)-7H-purin-6-amine;2,6-dichloro-7H-purine
CID 159255333
2-chloro-N-(3-nitrophenyl)-7H-purin-9-ium-6-amine
CID 123756354
2-chloro-N-(3-nitrophenyl)pyrimidin-4-amine
CID 46844785
4-N-(3-chlorophenyl)-5-nitro-6-N-(3-nitrophenyl)pyrimidine-4,6-diamine
CID 22532492
6-chloro-2-N-ethyl-2-N-methyl-4-N-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine
CID 53418706
5-fluoro-2-N-(1-methylpyrazol-4-yl)-4-N-(3-nitrophenyl)pyrimidine-2,4-diamine
CID 170777288
2-chloro-6-(3-nitroanilino)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 2781062
N-(3-bromophenyl)-2-chloro-8-nitro-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 71576083
5-nitro-4-N-(3-nitrophenyl)pyrimidine-4,6-diamine
CID 4140408
5-bromo-1-methyl-3-(3-nitroanilino)pyrazin-2-one
CID 155646201
6-chloro-2-N-(4-nitrophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 4187713
3-nitro-N-[4-(trifluoromethyl)phenyl]aniline
CID 142848101

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-5-fluoro-N-(3-nitrophenyl)pyrimidin-4-amine?
The IUPAC name of 2,6-dichloro-5-fluoro-N-(3-nitrophenyl)pyrimidin-4-amine (CID 90244579) is 2,6-dichloro-5-fluoro-N-(3-nitrophenyl)pyrimidin-4-amine.
What is the SMILES notation for 2,6-dichloro-5-fluoro-N-(3-nitrophenyl)pyrimidin-4-amine?
The canonical SMILES for 2,6-dichloro-5-fluoro-N-(3-nitrophenyl)pyrimidin-4-amine is O=[N+]([O-])c1cccc(Nc2nc(Cl)nc(Cl)c2F)c1.
What is the InChIKey of 2,6-dichloro-5-fluoro-N-(3-nitrophenyl)pyrimidin-4-amine?
The InChIKey is BLMPTDSMSRJVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2FN4O2/c11-8-7(13)9(16-10(12)15-8)14-5-2-1-3-6(4-5)17(18)19/h1-4H,(H,14,15,16).
What are the key properties of 2,6-dichloro-5-fluoro-N-(3-nitrophenyl)pyrimidin-4-amine?
2,6-dichloro-5-fluoro-N-(3-nitrophenyl)pyrimidin-4-amine has a molecular weight of 303.08 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-5-fluoro-N-(3-nitrophenyl)pyrimidin-4-amine is sourced from PubChem (CID 90244579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).