4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine

C11H13FN6O — CID 114841204

IUPAC4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
SMILESCOc1cc(Nc2cc(NN)nc(N)n2)ccc1F
InChIInChI=1S/C11H13FN6O/c1-19-8-4-6(2-3-7(8)12)15-9-5-10(18-14)17-11(13)16-9/h2-5H,14H2,1H3,(H4,13,15,16,17,18)
InChIKeySQYGNPPNPWTUBL-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.24
Rot. Bonds4

About 4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine

4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine (PubChem CID 114841204) has the molecular formula C11H13FN6O and a molecular weight of 264.26 g/mol. Its IUPAC name is 4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
PubChem CID114841204
Molecular FormulaC11H13FN6O
Molecular Weight264.26 g/mol
Exact Mass264.11
IUPAC Name4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
SMILESCOc1cc(Nc2cc(NN)nc(N)n2)ccc1F
InChIInChI=1S/C11H13FN6O/c1-19-8-4-6(2-3-7(8)12)15-9-5-10(18-14)17-11(13)16-9/h2-5H,14H2,1H3,(H4,13,15,16,17,18)
InChIKeySQYGNPPNPWTUBL-UHFFFAOYSA-N
XLogP1.24
TPSA111.11 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-(4-fluoro-3-methoxyphenyl)-4,6-dihydrazinylpyrimidin-2-amine
CID 139976084
6-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine
CID 114840486
4-N-(3-bromo-4-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80924462
2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 91334398
N-(3-fluoro-4-methoxyphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80894943
2-N-(4-fluoro-3-methoxyphenyl)pyridine-2,5-diamine
CID 114837203
5-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]-2-fluorobenzonitrile
CID 80908581
4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 82862436
N-(4-fluoro-3-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 114841199
N-(4-fluoro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 114841187
2,6-difluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,4-diamine
CID 114837137
6-hydrazinyl-4-N-(4-iodophenyl)pyrimidine-2,4-diamine
CID 80927048

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine (CID 114841204) is 4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine is COc1cc(Nc2cc(NN)nc(N)n2)ccc1F.
What is the InChIKey of 4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine?
The InChIKey is SQYGNPPNPWTUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN6O/c1-19-8-4-6(2-3-7(8)12)15-9-5-10(18-14)17-11(13)16-9/h2-5H,14H2,1H3,(H4,13,15,16,17,18).
What are the key properties of 4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine?
4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine has a molecular weight of 264.26 g/mol, XLogP of 1.24, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine is sourced from PubChem (CID 114841204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).