6-chloro-5-nitro-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-4-amine

C10H3ClF4N4O2 — CID 107645593

IUPAC6-chloro-5-nitro-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Cl)ncnc1Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C10H3ClF4N4O2/c11-9-8(19(20)21)10(17-2-16-9)18-7-5(14)3(12)1-4(13)6(7)15/h1-2H,(H,16,17,18)
InChIKeyFVTGKMCZXJQKNP-UHFFFAOYSA-N
MW322.61 g/mol
LogP3.34
Rot. Bonds3

About 6-chloro-5-nitro-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-4-amine

6-chloro-5-nitro-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-4-amine (PubChem CID 107645593) has the molecular formula C10H3ClF4N4O2 and a molecular weight of 322.61 g/mol. Its IUPAC name is 6-chloro-5-nitro-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-nitro-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-4-amine
PubChem CID107645593
Molecular FormulaC10H3ClF4N4O2
Molecular Weight322.61 g/mol
Exact Mass321.99
IUPAC Name6-chloro-5-nitro-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Cl)ncnc1Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C10H3ClF4N4O2/c11-9-8(19(20)21)10(17-2-16-9)18-7-5(14)3(12)1-4(13)6(7)15/h1-2H,(H,16,17,18)
InChIKeyFVTGKMCZXJQKNP-UHFFFAOYSA-N
XLogP3.34
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.61
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(5-chloro-2-fluorophenyl)-5-nitropyrimidin-4-amine
CID 62101185
N-(5-bromo-2,4-difluorophenyl)-6-chloro-5-nitropyrimidin-4-amine
CID 102854565
6-chloro-N-[2-(3,5-difluorophenyl)ethyl]-5-nitropyrimidin-4-amine
CID 62614734
N-(5-bromo-2-chlorophenyl)-6-chloro-5-nitropyrimidin-4-amine
CID 62909641
N-(6-chloro-5-nitropyrimidin-4-yl)-6-fluoro-1,3-benzothiazol-2-amine
CID 108776007
N-(2-bromophenyl)-6-chloro-5-nitropyrimidin-4-amine
CID 23477333
N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 107581042
4-N-(4-chloro-3-fluorophenyl)-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 80804001
6-chloro-N-(3,4-dimethoxyphenyl)-5-nitropyrimidin-4-amine
CID 62101180
N-(2-bromo-5-iodophenyl)-6-chloro-5-nitropyrimidin-4-amine
CID 114261082
6-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-5-nitropyrimidin-4-amine
CID 62100853
6-chloro-N-(3-ethylphenyl)-5-nitropyrimidin-4-amine
CID 62101847

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-nitro-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-nitro-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-4-amine (CID 107645593) is 6-chloro-5-nitro-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-nitro-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-nitro-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-4-amine is O=[N+]([O-])c1c(Cl)ncnc1Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 6-chloro-5-nitro-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-4-amine?
The InChIKey is FVTGKMCZXJQKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3ClF4N4O2/c11-9-8(19(20)21)10(17-2-16-9)18-7-5(14)3(12)1-4(13)6(7)15/h1-2H,(H,16,17,18).
What are the key properties of 6-chloro-5-nitro-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-4-amine?
6-chloro-5-nitro-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-4-amine has a molecular weight of 322.61 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-nitro-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 107645593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).