N-[1-(2-fluorophenyl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine

C15H20FN5 — CID 80964999

IUPACN-[1-(2-fluorophenyl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(NN)cc(NC(C)c2ccccc2F)n1
InChIInChI=1S/C15H20FN5/c1-9(2)15-19-13(8-14(20-15)21-17)18-10(3)11-6-4-5-7-12(11)16/h4-10H,17H2,1-3H3,(H2,18,19,20,21)
InChIKeyQCSXAPBAALPETA-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.20
Rot. Bonds5

About N-[1-(2-fluorophenyl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine

N-[1-(2-fluorophenyl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80964999) has the molecular formula C15H20FN5 and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80964999
Molecular FormulaC15H20FN5
Molecular Weight289.36 g/mol
Exact Mass289.17
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(NN)cc(NC(C)c2ccccc2F)n1
InChIInChI=1S/C15H20FN5/c1-9(2)15-19-13(8-14(20-15)21-17)18-10(3)11-6-4-5-7-12(11)16/h4-10H,17H2,1-3H3,(H2,18,19,20,21)
InChIKeyQCSXAPBAALPETA-UHFFFAOYSA-N
XLogP3.20
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.20
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

6-N,2-diethyl-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 80940133
4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801582
6-hydrazinyl-N-(2-methylsulfanylphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 107647320
4-[1-(2-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 137016292
N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80964990
6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine
CID 63586892
2-N-[1-(2-fluorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine
CID 80802046
6-N-methyl-4-N-(1-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956022
6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 106390426
N-cyclopropyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80968411
4-N-[1-(2,4-dichlorophenyl)ethyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80932264
2-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43194893

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine (CID 80964999) is N-[1-(2-fluorophenyl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(NN)cc(NC(C)c2ccccc2F)n1.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is QCSXAPBAALPETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5/c1-9(2)15-19-13(8-14(20-15)21-17)18-10(3)11-6-4-5-7-12(11)16/h4-10H,17H2,1-3H3,(H2,18,19,20,21).
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine?
N-[1-(2-fluorophenyl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 289.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80964999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).