N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine

C13H16ClN5 — CID 80896965

IUPACN-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
SMILESCc1nc(NN)cc(NC(C)c2cccc(Cl)c2)n1
InChIInChI=1S/C13H16ClN5/c1-8(10-4-3-5-11(14)6-10)16-12-7-13(19-15)18-9(2)17-12/h3-8H,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyWNRVOQITLOVNGV-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.90
Rot. Bonds4

About N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine

N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine (PubChem CID 80896965) has the molecular formula C13H16ClN5 and a molecular weight of 277.76 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
PubChem CID80896965
Molecular FormulaC13H16ClN5
Molecular Weight277.76 g/mol
Exact Mass277.11
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
SMILESCc1nc(NN)cc(NC(C)c2cccc(Cl)c2)n1
InChIInChI=1S/C13H16ClN5/c1-8(10-4-3-5-11(14)6-10)16-12-7-13(19-15)18-9(2)17-12/h3-8H,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyWNRVOQITLOVNGV-UHFFFAOYSA-N
XLogP2.90
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.90
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-[1-(3-chlorophenyl)ethyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80784552
4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 113221029
6-N-[1-(3-chlorophenyl)ethyl]pyridine-2,6-diamine
CID 80646586
2-tert-butyl-4-N-[1-(3-chlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 80961780
3-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 55147569
N-[1-(3-chlorophenyl)ethyl]-1,4-dimethylimidazol-2-amine
CID 106566702
6-N-[1-(3-chlorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 80802405
6-hydrazinyl-2-methyl-N-(1-phenylpropyl)pyrimidin-4-amine
CID 80908283
N-[1-(3-chlorophenyl)ethyl]-2,6-dimethylquinazolin-4-amine
CID 135336392
4-N-tert-butyl-2-methyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872076
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
N-[1-(3-chlorophenyl)ethyl]-6-fluoropyrimidin-4-amine
CID 115416691

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine (CID 80896965) is N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine is Cc1nc(NN)cc(NC(C)c2cccc(Cl)c2)n1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine?
The InChIKey is WNRVOQITLOVNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5/c1-8(10-4-3-5-11(14)6-10)16-12-7-13(19-15)18-9(2)17-12/h3-8H,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine?
N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine has a molecular weight of 277.76 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 80896965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).