N-[2-(4-chlorophenyl)ethyl]-6-hydrazinylpyrimidin-4-amine

C12H14ClN5 — CID 80899019

IUPACN-[2-(4-chlorophenyl)ethyl]-6-hydrazinylpyrimidin-4-amine
SMILESNNc1cc(NCCc2ccc(Cl)cc2)ncn1
InChIInChI=1S/C12H14ClN5/c13-10-3-1-9(2-4-10)5-6-15-11-7-12(18-14)17-8-16-11/h1-4,7-8H,5-6,14H2,(H2,15,16,17,18)
InChIKeyJPJHEEGCYHUTIZ-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.07
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-6-hydrazinylpyrimidin-4-amine

N-[2-(4-chlorophenyl)ethyl]-6-hydrazinylpyrimidin-4-amine (PubChem CID 80899019) has the molecular formula C12H14ClN5 and a molecular weight of 263.73 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-6-hydrazinylpyrimidin-4-amine
PubChem CID80899019
Molecular FormulaC12H14ClN5
Molecular Weight263.73 g/mol
Exact Mass263.09
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-6-hydrazinylpyrimidin-4-amine
SMILESNNc1cc(NCCc2ccc(Cl)cc2)ncn1
InChIInChI=1S/C12H14ClN5/c13-10-3-1-9(2-4-10)5-6-15-11-7-12(18-14)17-8-16-11/h1-4,7-8H,5-6,14H2,(H2,15,16,17,18)
InChIKeyJPJHEEGCYHUTIZ-UHFFFAOYSA-N
XLogP2.07
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.07
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

6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine
CID 60726986
6-N-[2-(4-chlorophenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859177
6-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858580
N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66327633
6-hydrazinyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
CID 80897852
6-N-[2-(4-chlorophenyl)ethyl]-4-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4,6-diamine
CID 112862520
6-N-[2-(4-chlorophenyl)ethyl]-4-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine
CID 112862560
6-chloro-N-[3-(4-chlorophenyl)propyl]pyrimidin-4-amine
CID 175661994
6-N-[2-(4-chlorophenyl)ethyl]-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine
CID 112862542
6-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112862527
6-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-4-carboxamide
CID 109338491
6-[2-(4-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350546

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-hydrazinylpyrimidin-4-amine (CID 80899019) is N-[2-(4-chlorophenyl)ethyl]-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-6-hydrazinylpyrimidin-4-amine is NNc1cc(NCCc2ccc(Cl)cc2)ncn1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-6-hydrazinylpyrimidin-4-amine?
The InChIKey is JPJHEEGCYHUTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5/c13-10-3-1-9(2-4-10)5-6-15-11-7-12(18-14)17-8-16-11/h1-4,7-8H,5-6,14H2,(H2,15,16,17,18).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-6-hydrazinylpyrimidin-4-amine?
N-[2-(4-chlorophenyl)ethyl]-6-hydrazinylpyrimidin-4-amine has a molecular weight of 263.73 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80899019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).