N-(4-fluoro-3-methoxyphenyl)-4,6-dihydrazinylpyrimidin-2-amine

C11H14FN7O — CID 139976084

IUPACN-(4-fluoro-3-methoxyphenyl)-4,6-dihydrazinylpyrimidin-2-amine
SMILESCOc1cc(Nc2nc(NN)cc(NN)n2)ccc1F
InChIInChI=1S/C11H14FN7O/c1-20-8-4-6(2-3-7(8)12)15-11-16-9(18-13)5-10(17-11)19-14/h2-5H,13-14H2,1H3,(H3,15,16,17,18,19)
InChIKeyIRCVKNBJHVCQOM-UHFFFAOYSA-N
MW279.28 g/mol
LogP0.94
Rot. Bonds5

About N-(4-fluoro-3-methoxyphenyl)-4,6-dihydrazinylpyrimidin-2-amine

N-(4-fluoro-3-methoxyphenyl)-4,6-dihydrazinylpyrimidin-2-amine (PubChem CID 139976084) has the molecular formula C11H14FN7O and a molecular weight of 279.28 g/mol. Its IUPAC name is N-(4-fluoro-3-methoxyphenyl)-4,6-dihydrazinylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-fluoro-3-methoxyphenyl)-4,6-dihydrazinylpyrimidin-2-amine
PubChem CID139976084
Molecular FormulaC11H14FN7O
Molecular Weight279.28 g/mol
Exact Mass279.12
IUPAC NameN-(4-fluoro-3-methoxyphenyl)-4,6-dihydrazinylpyrimidin-2-amine
SMILESCOc1cc(Nc2nc(NN)cc(NN)n2)ccc1F
InChIInChI=1S/C11H14FN7O/c1-20-8-4-6(2-3-7(8)12)15-11-16-9(18-13)5-10(17-11)19-14/h2-5H,13-14H2,1H3,(H3,15,16,17,18,19)
InChIKeyIRCVKNBJHVCQOM-UHFFFAOYSA-N
XLogP0.94
TPSA123.14 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 50.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 114841204
2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 91334398
N-(4-fluoro-3-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 114841199
N-(3,4-difluorophenyl)-4,6-dihydrazinylpyrimidin-2-amine
CID 139976897
N-(3-chloro-4-fluorophenyl)-4,6-dihydrazinylpyrimidin-2-amine
CID 139976962
N-(3-fluoro-4-methoxyphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80894943
N-(4-fluoro-3-methoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 114841210
N-(4-fluoro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 114841187
6-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine
CID 114840486
2-N-(4-fluoro-3-methoxyphenyl)pyridine-2,5-diamine
CID 114837203
2,6-difluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,4-diamine
CID 114837137
2-(4-fluoro-3-methoxyanilino)pyrimidine-4-carbonitrile
CID 107545386

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methoxyphenyl)-4,6-dihydrazinylpyrimidin-2-amine?
The IUPAC name of N-(4-fluoro-3-methoxyphenyl)-4,6-dihydrazinylpyrimidin-2-amine (CID 139976084) is N-(4-fluoro-3-methoxyphenyl)-4,6-dihydrazinylpyrimidin-2-amine.
What is the SMILES notation for N-(4-fluoro-3-methoxyphenyl)-4,6-dihydrazinylpyrimidin-2-amine?
The canonical SMILES for N-(4-fluoro-3-methoxyphenyl)-4,6-dihydrazinylpyrimidin-2-amine is COc1cc(Nc2nc(NN)cc(NN)n2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methoxyphenyl)-4,6-dihydrazinylpyrimidin-2-amine?
The InChIKey is IRCVKNBJHVCQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN7O/c1-20-8-4-6(2-3-7(8)12)15-11-16-9(18-13)5-10(17-11)19-14/h2-5H,13-14H2,1H3,(H3,15,16,17,18,19).
What are the key properties of N-(4-fluoro-3-methoxyphenyl)-4,6-dihydrazinylpyrimidin-2-amine?
N-(4-fluoro-3-methoxyphenyl)-4,6-dihydrazinylpyrimidin-2-amine has a molecular weight of 279.28 g/mol, XLogP of 0.94, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methoxyphenyl)-4,6-dihydrazinylpyrimidin-2-amine is sourced from PubChem (CID 139976084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).