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

C15H20FN5 — CID 80899566

IUPACN-[(4-fluorophenyl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1N(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H20FN5/c1-3-4-13-14(20-17)18-10-19-15(13)21(2)9-11-5-7-12(16)8-6-11/h5-8,10H,3-4,9,17H2,1-2H3,(H,18,19,20)
InChIKeyNXIZQONRGIKKDB-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.49
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine (PubChem CID 80899566) has the molecular formula C15H20FN5 and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
PubChem CID80899566
Molecular FormulaC15H20FN5
Molecular Weight289.36 g/mol
Exact Mass289.17
IUPAC NameN-[(4-fluorophenyl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1N(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H20FN5/c1-3-4-13-14(20-17)18-10-19-15(13)21(2)9-11-5-7-12(16)8-6-11/h5-8,10H,3-4,9,17H2,1-2H3,(H,18,19,20)
InChIKeyNXIZQONRGIKKDB-UHFFFAOYSA-N
XLogP2.49
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
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)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80908843
6-hydrazinyl-N-methyl-5-propyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80906104
N-[2-(4-fluorophenyl)ethyl]-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80911399
6-hydrazinyl-N,N-dimethyl-5-propylpyrimidin-4-amine
CID 80932720
6-hydrazinyl-N-methyl-5-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80905798
5-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80932991
N-[(4-bromothiophen-2-yl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80905130
N-ethyl-6-hydrazinyl-5-propyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80900573
6-hydrazinyl-N-methyl-5-propyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80929501
3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80916482
2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 80894743
2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide
CID 80894065

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine (CID 80899566) is N-[(4-fluorophenyl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine is CCCc1c(NN)ncnc1N(C)Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine?
The InChIKey is NXIZQONRGIKKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5/c1-3-4-13-14(20-17)18-10-19-15(13)21(2)9-11-5-7-12(16)8-6-11/h5-8,10H,3-4,9,17H2,1-2H3,(H,18,19,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine?
N-[(4-fluorophenyl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine has a molecular weight of 289.36 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80899566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).