N-(2-chlorophenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine

C13H16ClN5 — CID 80927802

IUPACN-(2-chlorophenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1Nc1ccccc1Cl
InChIInChI=1S/C13H16ClN5/c1-2-5-9-12(16-8-17-13(9)19-15)18-11-7-4-3-6-10(11)14/h3-4,6-8H,2,5,15H2,1H3,(H2,16,17,18,19)
InChIKeyQHXKYAKNBCRHOC-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.11
Rot. Bonds5

About N-(2-chlorophenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine

N-(2-chlorophenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine (PubChem CID 80927802) has the molecular formula C13H16ClN5 and a molecular weight of 277.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
PubChem CID80927802
Molecular FormulaC13H16ClN5
Molecular Weight277.76 g/mol
Exact Mass277.11
IUPAC NameN-(2-chlorophenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1Nc1ccccc1Cl
InChIInChI=1S/C13H16ClN5/c1-2-5-9-12(16-8-17-13(9)19-15)18-11-7-4-3-6-10(11)14/h3-4,6-8H,2,5,15H2,1H3,(H2,16,17,18,19)
InChIKeyQHXKYAKNBCRHOC-UHFFFAOYSA-N
XLogP3.11
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.11
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

1-N-(6-hydrazinyl-5-propylpyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106761113
N-(2-chloro-5-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80901649
N-[(2-chlorophenyl)methyl]-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80932408
N-(3-chloro-2-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80927392
4-N-(3-chloro-2-methylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80737993
N-(2-bromo-3-chlorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 103482018
[6-(2-chlorophenyl)sulfanyl-5-propylpyrimidin-4-yl]hydrazine
CID 80921884
N-(2-chlorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80927804
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,5,6-triamine
CID 19147893
4-N-(2,6-dichlorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80829581
6-N-butyl-4-N-(2-chlorophenyl)pyrimidine-4,5,6-triamine
CID 19134851
4-N-(4-bromo-2-chlorophenyl)-5-propylpyrimidine-4,6-diamine
CID 80772955

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine?
The IUPAC name of N-(2-chlorophenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine (CID 80927802) is N-(2-chlorophenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chlorophenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine?
The canonical SMILES for N-(2-chlorophenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine is CCCc1c(NN)ncnc1Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine?
The InChIKey is QHXKYAKNBCRHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5/c1-2-5-9-12(16-8-17-13(9)19-15)18-11-7-4-3-6-10(11)14/h3-4,6-8H,2,5,15H2,1H3,(H2,16,17,18,19).
What are the key properties of N-(2-chlorophenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine?
N-(2-chlorophenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine has a molecular weight of 277.76 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80927802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).