4-N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine

C13H17ClN6 — CID 80919266

IUPAC4-N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
SMILESCC(c1cccc(Cl)c1)N(C)c1cc(NN)nc(N)n1
InChIInChI=1S/C13H17ClN6/c1-8(9-4-3-5-10(14)6-9)20(2)12-7-11(19-16)17-13(15)18-12/h3-8H,16H2,1-2H3,(H3,15,17,18,19)
InChIKeyBXQVBBATSSOJQR-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.20
Rot. Bonds4

About 4-N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine

4-N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine (PubChem CID 80919266) has the molecular formula C13H17ClN6 and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
PubChem CID80919266
Molecular FormulaC13H17ClN6
Molecular Weight292.77 g/mol
Exact Mass292.12
IUPAC Name4-N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
SMILESCC(c1cccc(Cl)c1)N(C)c1cc(NN)nc(N)n1
InChIInChI=1S/C13H17ClN6/c1-8(9-4-3-5-10(14)6-9)20(2)12-7-11(19-16)17-13(15)18-12/h3-8H,16H2,1-2H3,(H3,15,17,18,19)
InChIKeyBXQVBBATSSOJQR-UHFFFAOYSA-N
XLogP2.20
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

6-chloro-4-N-[1-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-2,4-diamine
CID 47283103
6-hydrazinyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine
CID 112668103
6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-2-carbothioamide
CID 64594303
6-(aminomethyl)-5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 62984551
5-amino-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-2-carboxamide
CID 114406497
6-bromo-2-N-[1-(3-chlorophenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 116796862
2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine
CID 80809197
N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80896965
4-[(1S)-1-aminoethyl]-N-[1-(3-chlorophenyl)ethyl]-N-methylaniline
CID 63369064
4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 113221029
1-N-[1-(3-chlorophenyl)ethyl]-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 62980389
2-bromo-1-N-[1-(3-chlorophenyl)ethyl]-1-N-methylbenzene-1,4-diamine
CID 55187118

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine (CID 80919266) is 4-N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine is CC(c1cccc(Cl)c1)N(C)c1cc(NN)nc(N)n1.
What is the InChIKey of 4-N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is BXQVBBATSSOJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6/c1-8(9-4-3-5-10(14)6-9)20(2)12-7-11(19-16)17-13(15)18-12/h3-8H,16H2,1-2H3,(H3,15,17,18,19).
What are the key properties of 4-N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine?
4-N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 292.77 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80919266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).