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

C14H18FN5 — CID 80947636

IUPACN-(4-fluorophenyl)-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)cc(N(C)c2ccc(F)cc2)n1
InChIInChI=1S/C14H18FN5/c1-3-4-12-17-13(19-16)9-14(18-12)20(2)11-7-5-10(15)6-8-11/h5-9H,3-4,16H2,1-2H3,(H,17,18,19)
InChIKeyYFBYPFWRULPQDG-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.62
Rot. Bonds5

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

N-(4-fluorophenyl)-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine (PubChem CID 80947636) has the molecular formula C14H18FN5 and a molecular weight of 275.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine
PubChem CID80947636
Molecular FormulaC14H18FN5
Molecular Weight275.33 g/mol
Exact Mass275.15
IUPAC NameN-(4-fluorophenyl)-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)cc(N(C)c2ccc(F)cc2)n1
InChIInChI=1S/C14H18FN5/c1-3-4-12-17-13(19-16)9-14(18-12)20(2)11-7-5-10(15)6-8-11/h5-9H,3-4,16H2,1-2H3,(H,17,18,19)
InChIKeyYFBYPFWRULPQDG-UHFFFAOYSA-N
XLogP2.62
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.62
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

4-N-(4-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80954620
2-ethyl-N-(4-ethylphenyl)-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80936913
6-N-ethyl-4-N-(3-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80942361
6-hydrazinyl-N,N,2-tripropylpyrimidin-4-amine
CID 80947753
N-(4-fluorophenyl)-6-hydrazinyl-N-methylpyridin-2-amine
CID 80908534
N-(3,5-dimethylphenyl)-2-ethyl-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80936991
N-[(4-chlorophenyl)methyl]-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine
CID 80943087
6-hydrazinyl-N-methyl-N-(2-propan-2-yloxyethyl)-2-propylpyrimidin-4-amine
CID 81064970
4-N-ethyl-4-N-(4-fluorophenyl)-2-propylpyrimidine-4,6-diamine
CID 80954692
4-N-methyl-4-N-phenyl-2-propylpyrimidine-4,6-diamine
CID 80946499
[6-(3,5-difluorophenoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 80947113
3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile
CID 80947733

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine (CID 80947636) is N-(4-fluorophenyl)-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine is CCCc1nc(NN)cc(N(C)c2ccc(F)cc2)n1.
What is the InChIKey of N-(4-fluorophenyl)-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine?
The InChIKey is YFBYPFWRULPQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5/c1-3-4-12-17-13(19-16)9-14(18-12)20(2)11-7-5-10(15)6-8-11/h5-9H,3-4,16H2,1-2H3,(H,17,18,19).
What are the key properties of N-(4-fluorophenyl)-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine?
N-(4-fluorophenyl)-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine has a molecular weight of 275.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80947636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).