6-N-(4-fluorophenyl)-4-N-(3-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine

C16H13FN6O2 — CID 22527100

IUPAC6-N-(4-fluorophenyl)-4-N-(3-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
SMILESCc1cccnc1Nc1ncnc(Nc2ccc(F)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C16H13FN6O2/c1-10-3-2-8-18-14(10)22-16-13(23(24)25)15(19-9-20-16)21-12-6-4-11(17)5-7-12/h2-9H,1H3,(H2,18,19,20,21,22)
InChIKeyCHMDQGCGYDJTDE-UHFFFAOYSA-N
MW340.32 g/mol
LogP3.71
Rot. Bonds5

About 6-N-(4-fluorophenyl)-4-N-(3-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine

6-N-(4-fluorophenyl)-4-N-(3-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine (PubChem CID 22527100) has the molecular formula C16H13FN6O2 and a molecular weight of 340.32 g/mol. Its IUPAC name is 6-N-(4-fluorophenyl)-4-N-(3-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(4-fluorophenyl)-4-N-(3-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
PubChem CID22527100
Molecular FormulaC16H13FN6O2
Molecular Weight340.32 g/mol
Exact Mass340.11
IUPAC Name6-N-(4-fluorophenyl)-4-N-(3-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
SMILESCc1cccnc1Nc1ncnc(Nc2ccc(F)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C16H13FN6O2/c1-10-3-2-8-18-14(10)22-16-13(23(24)25)15(19-9-20-16)21-12-6-4-11(17)5-7-12/h2-9H,1H3,(H2,18,19,20,21,22)
InChIKeyCHMDQGCGYDJTDE-UHFFFAOYSA-N
XLogP3.71
TPSA105.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 53.71
H-Bond Donors ≤ 52
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

6-N-(4-methoxyphenyl)-4-N-(3-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 22527101
4-N-(3-methyl-2-pyridinyl)-5-nitro-6-N-(4-phenyldiazenylphenyl)pyrimidine-4,6-diamine
CID 22527076
6-N-methyl-4-N-(3-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 23486915
4-N-(3,5-dimethylphenyl)-6-N-(4-fluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 23479464
6-N-ethyl-4-N-(4-fluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 23487152
6-N-(5-bromo-2-pyridinyl)-4-N-(3-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 22527083
4-N-(3,4-dichlorophenyl)-6-N-(4-fluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 23485511
4-N-(4-methylphenyl)-5-nitro-6-N-phenylpyrimidine-4,6-diamine
CID 22531784
4-N-(2-methylphenyl)-5-nitro-6-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 23481998
6-N-(4-bromophenyl)-4-N-(2-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 22531907
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methylphenyl)-5-nitropyrimidin-4-amine
CID 22532903
4-N-ethyl-6-N-(3-methyl-2-pyridinyl)-5-nitro-4-N-phenylpyrimidine-4,6-diamine
CID 23478227

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-fluorophenyl)-4-N-(3-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine?
The IUPAC name of 6-N-(4-fluorophenyl)-4-N-(3-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine (CID 22527100) is 6-N-(4-fluorophenyl)-4-N-(3-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(4-fluorophenyl)-4-N-(3-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(4-fluorophenyl)-4-N-(3-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine is Cc1cccnc1Nc1ncnc(Nc2ccc(F)cc2)c1[N+](=O)[O-].
What is the InChIKey of 6-N-(4-fluorophenyl)-4-N-(3-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine?
The InChIKey is CHMDQGCGYDJTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6O2/c1-10-3-2-8-18-14(10)22-16-13(23(24)25)15(19-9-20-16)21-12-6-4-11(17)5-7-12/h2-9H,1H3,(H2,18,19,20,21,22).
What are the key properties of 6-N-(4-fluorophenyl)-4-N-(3-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine?
6-N-(4-fluorophenyl)-4-N-(3-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine has a molecular weight of 340.32 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-fluorophenyl)-4-N-(3-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine is sourced from PubChem (CID 22527100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).