N-(2,5-difluorophenyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine

C13H8F2N6O2 — CID 22538661

IUPACN-(2,5-difluorophenyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Nc2cc(F)ccc2F)ncnc1-n1ccnc1
InChIInChI=1S/C13H8F2N6O2/c14-8-1-2-9(15)10(5-8)19-12-11(21(22)23)13(18-6-17-12)20-4-3-16-7-20/h1-7H,(H,17,18,19)
InChIKeyZNTPEBAGNOCFFM-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.59
Rot. Bonds4

About N-(2,5-difluorophenyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine

N-(2,5-difluorophenyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine (PubChem CID 22538661) has the molecular formula C13H8F2N6O2 and a molecular weight of 318.24 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine
PubChem CID22538661
Molecular FormulaC13H8F2N6O2
Molecular Weight318.24 g/mol
Exact Mass318.07
IUPAC NameN-(2,5-difluorophenyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Nc2cc(F)ccc2F)ncnc1-n1ccnc1
InChIInChI=1S/C13H8F2N6O2/c14-8-1-2-9(15)10(5-8)19-12-11(21(22)23)13(18-6-17-12)20-4-3-16-7-20/h1-7H,(H,17,18,19)
InChIKeyZNTPEBAGNOCFFM-UHFFFAOYSA-N
XLogP2.59
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-(2,5-difluorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-5-nitropyrimidin-4-amine
CID 22538664
N-(5-chloro-2-pyridinyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine
CID 22531273
4-N-(2,5-difluorophenyl)-6-N-(3-imidazol-1-ylpropyl)-5-nitropyrimidine-4,6-diamine
CID 22538644
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-imidazol-1-yl-5-nitropyrimidin-4-amine
CID 23479805
N-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)quinolin-5-amine
CID 22537695
6-N-(4-bromophenyl)-4-N-(2,5-difluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22533129
4-N-(2,5-difluorophenyl)-6-N-(3,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23479539
N-(2,5-difluorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine
CID 23481857
N-ethyl-6-imidazol-1-yl-5-nitropyrimidin-4-amine
CID 23487256
N,N-diethyl-4-[(6-imidazol-1-yl-5-nitropyrimidin-4-yl)amino]benzenesulfonamide
CID 22527923
2,4-dichloro-N'-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)benzohydrazide
CID 22536464
N-[4-[[6-(2,5-difluoroanilino)-5-nitropyrimidin-4-yl]amino]phenyl]acetamide
CID 22538124

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine?
The IUPAC name of N-(2,5-difluorophenyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine (CID 22538661) is N-(2,5-difluorophenyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-(2,5-difluorophenyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine?
The canonical SMILES for N-(2,5-difluorophenyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine is O=[N+]([O-])c1c(Nc2cc(F)ccc2F)ncnc1-n1ccnc1.
What is the InChIKey of N-(2,5-difluorophenyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine?
The InChIKey is ZNTPEBAGNOCFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N6O2/c14-8-1-2-9(15)10(5-8)19-12-11(21(22)23)13(18-6-17-12)20-4-3-16-7-20/h1-7H,(H,17,18,19).
What are the key properties of N-(2,5-difluorophenyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine?
N-(2,5-difluorophenyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine has a molecular weight of 318.24 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 22538661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).