N-(4-fluoro-3-methoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine

C12H14FN5O — CID 114841210

IUPACN-(4-fluoro-3-methoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCOc1cc(Nc2nc(NN)ncc2C)ccc1F
InChIInChI=1S/C12H14FN5O/c1-7-6-15-12(18-14)17-11(7)16-8-3-4-9(13)10(5-8)19-2/h3-6H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyIJQRXSJKXBHNEV-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.96
Rot. Bonds4

About N-(4-fluoro-3-methoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine

N-(4-fluoro-3-methoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine (PubChem CID 114841210) has the molecular formula C12H14FN5O and a molecular weight of 263.28 g/mol. Its IUPAC name is N-(4-fluoro-3-methoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-fluoro-3-methoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
PubChem CID114841210
Molecular FormulaC12H14FN5O
Molecular Weight263.28 g/mol
Exact Mass263.12
IUPAC NameN-(4-fluoro-3-methoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCOc1cc(Nc2nc(NN)ncc2C)ccc1F
InChIInChI=1S/C12H14FN5O/c1-7-6-15-12(18-14)17-11(7)16-8-3-4-9(13)10(5-8)19-2/h3-6H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyIJQRXSJKXBHNEV-UHFFFAOYSA-N
XLogP1.96
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

N-(3,4-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80920092
N-(4-fluoro-3-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 114841199
N-(4-fluoro-3-methoxyphenyl)-4,6-dihydrazinylpyrimidin-2-amine
CID 139976084
N-(3-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 107371200
N-(4-ethyl-3-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 114250739
N-(4-bromophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80927485
N-(4-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80927038
2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 91334398
4-N-(3-chloro-4-methoxyphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80762990
N-(4-chloro-2,5-dimethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80913118
5-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine
CID 114841159
N-(3-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80905291

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-(4-fluoro-3-methoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine (CID 114841210) is N-(4-fluoro-3-methoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(4-fluoro-3-methoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(4-fluoro-3-methoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine is COc1cc(Nc2nc(NN)ncc2C)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
The InChIKey is IJQRXSJKXBHNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O/c1-7-6-15-12(18-14)17-11(7)16-8-3-4-9(13)10(5-8)19-2/h3-6H,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of N-(4-fluoro-3-methoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
N-(4-fluoro-3-methoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine has a molecular weight of 263.28 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 114841210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).