N-(5-chloro-2-pyridinyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine

C12H8ClN7O2 — CID 22531273

IUPACN-(5-chloro-2-pyridinyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Nc2ccc(Cl)cn2)ncnc1-n1ccnc1
InChIInChI=1S/C12H8ClN7O2/c13-8-1-2-9(15-5-8)18-11-10(20(21)22)12(17-6-16-11)19-4-3-14-7-19/h1-7H,(H,15,16,17,18)
InChIKeyKQMLJLMXVWXHFB-UHFFFAOYSA-N
MW317.70 g/mol
LogP2.36
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine

N-(5-chloro-2-pyridinyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine (PubChem CID 22531273) has the molecular formula C12H8ClN7O2 and a molecular weight of 317.70 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine
PubChem CID22531273
Molecular FormulaC12H8ClN7O2
Molecular Weight317.70 g/mol
Exact Mass317.04
IUPAC NameN-(5-chloro-2-pyridinyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Nc2ccc(Cl)cn2)ncnc1-n1ccnc1
InChIInChI=1S/C12H8ClN7O2/c13-8-1-2-9(15-5-8)18-11-10(20(21)22)12(17-6-16-11)19-4-3-14-7-19/h1-7H,(H,15,16,17,18)
InChIKeyKQMLJLMXVWXHFB-UHFFFAOYSA-N
XLogP2.36
TPSA111.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.70
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-imidazol-1-yl-5-nitropyrimidin-4-amine
CID 22538661
2,4-dichloro-N'-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)benzohydrazide
CID 22536464
4-N-tert-butyl-6-N-(5-chloro-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 23478729
4-N-(5-chloro-2-pyridinyl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine
CID 22527942
4-N-(5-chloro-2-pyridinyl)-6-N-(3,4-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 23485493
N-(5-chloro-2-pyridinyl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine
CID 23490302
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-imidazol-1-yl-5-nitropyrimidin-4-amine
CID 23479805
N-ethyl-6-imidazol-1-yl-5-nitropyrimidin-4-amine
CID 23487256
N-(5-chloro-2-pyridinyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine
CID 22526793
6-N-(5-chloro-2-pyridinyl)-5-nitro-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 23487536
N-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)quinolin-5-amine
CID 22537695
N,N-diethyl-4-[(6-imidazol-1-yl-5-nitropyrimidin-4-yl)amino]benzenesulfonamide
CID 22527923

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine?
The IUPAC name of N-(5-chloro-2-pyridinyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine (CID 22531273) is N-(5-chloro-2-pyridinyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine is O=[N+]([O-])c1c(Nc2ccc(Cl)cn2)ncnc1-n1ccnc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine?
The InChIKey is KQMLJLMXVWXHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN7O2/c13-8-1-2-9(15-5-8)18-11-10(20(21)22)12(17-6-16-11)19-4-3-14-7-19/h1-7H,(H,15,16,17,18).
What are the key properties of N-(5-chloro-2-pyridinyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine?
N-(5-chloro-2-pyridinyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine has a molecular weight of 317.70 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 22531273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).