N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine

C14H17ClFN5 — CID 80995143

IUPACN-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)c(C)c(Nc2ccc(Cl)cc2F)n1
InChIInChI=1S/C14H17ClFN5/c1-3-4-12-19-13(8(2)14(20-12)21-17)18-11-6-5-9(15)7-10(11)16/h5-7H,3-4,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyRALITZMAVXCKMD-UHFFFAOYSA-N
MW309.78 g/mol
LogP3.56
Rot. Bonds5

About N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine

N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80995143) has the molecular formula C14H17ClFN5 and a molecular weight of 309.78 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80995143
Molecular FormulaC14H17ClFN5
Molecular Weight309.78 g/mol
Exact Mass309.12
IUPAC NameN-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)c(C)c(Nc2ccc(Cl)cc2F)n1
InChIInChI=1S/C14H17ClFN5/c1-3-4-12-19-13(8(2)14(20-12)21-17)18-11-6-5-9(15)7-10(11)16/h5-7H,3-4,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyRALITZMAVXCKMD-UHFFFAOYSA-N
XLogP3.56
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 53.56
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

4-N-(4-chloro-2-fluorophenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80800979
N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80897397
4-N-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80975992
N-(3,4-dichlorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81007312
4-N-(5-chloro-2-methylphenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80976793
N-(4-fluorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81007658
6-chloro-N-(4-chloro-2-fluorophenyl)-2-propylpyrimidin-4-amine
CID 80939820
(6-chloro-2-propylquinazolin-4-yl)hydrazine
CID 106583784
(7-chloro-2-propylquinazolin-4-yl)hydrazine
CID 106583898
N-(2-chloro-4-methylphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81006005
N-(4-ethylphenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81006486
[6-(2-fluoro-5-methylphenoxy)-5-methyl-2-propylpyrimidin-4-yl]hydrazine
CID 81000747

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine (CID 80995143) is N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(NN)c(C)c(Nc2ccc(Cl)cc2F)n1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is RALITZMAVXCKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN5/c1-3-4-12-19-13(8(2)14(20-12)21-17)18-11-6-5-9(15)7-10(11)16/h5-7H,3-4,17H2,1-2H3,(H2,18,19,20,21).
What are the key properties of N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine?
N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 309.78 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80995143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).