N-[2-(4-fluorophenyl)ethyl]-6-hydrazinyl-5-propylpyrimidin-4-amine

C15H20FN5 — CID 80911399

IUPACN-[2-(4-fluorophenyl)ethyl]-6-hydrazinyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1NCCc1ccc(F)cc1
InChIInChI=1S/C15H20FN5/c1-2-3-13-14(19-10-20-15(13)21-17)18-9-8-11-4-6-12(16)7-5-11/h4-7,10H,2-3,8-9,17H2,1H3,(H2,18,19,20,21)
InChIKeyBCVVAHMHSWWHGP-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.51
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-6-hydrazinyl-5-propylpyrimidin-4-amine

N-[2-(4-fluorophenyl)ethyl]-6-hydrazinyl-5-propylpyrimidin-4-amine (PubChem CID 80911399) has the molecular formula C15H20FN5 and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-6-hydrazinyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-6-hydrazinyl-5-propylpyrimidin-4-amine
PubChem CID80911399
Molecular FormulaC15H20FN5
Molecular Weight289.36 g/mol
Exact Mass289.17
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-6-hydrazinyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1NCCc1ccc(F)cc1
InChIInChI=1S/C15H20FN5/c1-2-3-13-14(19-10-20-15(13)21-17)18-9-8-11-4-6-12(16)7-5-11/h4-7,10H,2-3,8-9,17H2,1H3,(H2,18,19,20,21)
InChIKeyBCVVAHMHSWWHGP-UHFFFAOYSA-N
XLogP2.51
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.51
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

N-[(4-fluorophenyl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80899566
6-chloro-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine
CID 63728744
N-(4-fluorophenyl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80908843
2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80906224
6-hydrazinyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidin-4-amine
CID 106412478
6-chloro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,5-diamine
CID 55134343
6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-propylpyrimidin-4-amine
CID 80908147
6-hydrazinyl-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 80910998
5-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80772654
5-fluoro-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile
CID 82683530
6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-5-propylpyrimidin-4-amine
CID 80911879
4-[2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethyl]phenol
CID 80898704

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-6-hydrazinyl-5-propylpyrimidin-4-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-6-hydrazinyl-5-propylpyrimidin-4-amine (CID 80911399) is N-[2-(4-fluorophenyl)ethyl]-6-hydrazinyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-6-hydrazinyl-5-propylpyrimidin-4-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-6-hydrazinyl-5-propylpyrimidin-4-amine is CCCc1c(NN)ncnc1NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-6-hydrazinyl-5-propylpyrimidin-4-amine?
The InChIKey is BCVVAHMHSWWHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5/c1-2-3-13-14(19-10-20-15(13)21-17)18-9-8-11-4-6-12(16)7-5-11/h4-7,10H,2-3,8-9,17H2,1H3,(H2,18,19,20,21).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-6-hydrazinyl-5-propylpyrimidin-4-amine?
N-[2-(4-fluorophenyl)ethyl]-6-hydrazinyl-5-propylpyrimidin-4-amine has a molecular weight of 289.36 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-6-hydrazinyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80911399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).