5-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-2-hydrazinylpyrimidin-4-amine

C13H15ClFN5 — CID 80913978

IUPAC5-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-2-hydrazinylpyrimidin-4-amine
SMILESCC(Cc1ccc(F)cc1)Nc1nc(NN)ncc1Cl
InChIInChI=1S/C13H15ClFN5/c1-8(6-9-2-4-10(15)5-3-9)18-12-11(14)7-17-13(19-12)20-16/h2-5,7-8H,6,16H2,1H3,(H2,17,18,19,20)
InChIKeySYQMMXIVDRXJOB-UHFFFAOYSA-N
MW295.75 g/mol
LogP2.60
Rot. Bonds5

About 5-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-2-hydrazinylpyrimidin-4-amine

5-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-2-hydrazinylpyrimidin-4-amine (PubChem CID 80913978) has the molecular formula C13H15ClFN5 and a molecular weight of 295.75 g/mol. Its IUPAC name is 5-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-2-hydrazinylpyrimidin-4-amine
PubChem CID80913978
Molecular FormulaC13H15ClFN5
Molecular Weight295.75 g/mol
Exact Mass295.10
IUPAC Name5-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-2-hydrazinylpyrimidin-4-amine
SMILESCC(Cc1ccc(F)cc1)Nc1nc(NN)ncc1Cl
InChIInChI=1S/C13H15ClFN5/c1-8(6-9-2-4-10(15)5-3-9)18-12-11(14)7-17-13(19-12)20-16/h2-5,7-8H,6,16H2,1H3,(H2,17,18,19,20)
InChIKeySYQMMXIVDRXJOB-UHFFFAOYSA-N
XLogP2.60
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

5-chloro-2-N-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-2,4-diamine
CID 80831177
3,5-dichloro-6-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpyridine-2,6-diamine
CID 102758087
3-N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 80904346
5-bromo-3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-2-amine
CID 103582511
5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydrazinylpyrimidin-4-amine
CID 80926777
5-chloro-N-(2,6-dichloro-4-fluorophenyl)-2-hydrazinylpyrimidin-4-amine
CID 83082007
6-chloro-2-N-[1-(4-fluorophenyl)propan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80824246
2-N-[1-(4-fluorophenyl)propan-2-yl]-1,3,5-triazine-2,4-diamine
CID 112746204
5-chloro-N-[1-(furan-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine
CID 80907426
5-chloro-2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 80932410
5-chloro-4-N-[1-(furan-2-yl)propan-2-yl]-2-N-methylpyrimidine-2,4-diamine
CID 80804226
1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80915615

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-2-hydrazinylpyrimidin-4-amine (CID 80913978) is 5-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-2-hydrazinylpyrimidin-4-amine is CC(Cc1ccc(F)cc1)Nc1nc(NN)ncc1Cl.
What is the InChIKey of 5-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-2-hydrazinylpyrimidin-4-amine?
The InChIKey is SYQMMXIVDRXJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN5/c1-8(6-9-2-4-10(15)5-3-9)18-12-11(14)7-17-13(19-12)20-16/h2-5,7-8H,6,16H2,1H3,(H2,17,18,19,20).
What are the key properties of 5-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-2-hydrazinylpyrimidin-4-amine?
5-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-2-hydrazinylpyrimidin-4-amine has a molecular weight of 295.75 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80913978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).