N-(2-chlorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine

C13H16ClN5 — CID 80927804

IUPACN-(2-chlorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(NN)ncnc1Nc1ccccc1Cl
InChIInChI=1S/C13H16ClN5/c1-8(2)11-12(16-7-17-13(11)19-15)18-10-6-4-3-5-9(10)14/h3-8H,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyZQENYXMQCQWYHK-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.28
Rot. Bonds4

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

N-(2-chlorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80927804) has the molecular formula C13H16ClN5 and a molecular weight of 277.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID80927804
Molecular FormulaC13H16ClN5
Molecular Weight277.76 g/mol
Exact Mass277.11
IUPAC NameN-(2-chlorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(NN)ncnc1Nc1ccccc1Cl
InChIInChI=1S/C13H16ClN5/c1-8(2)11-12(16-7-17-13(11)19-15)18-10-6-4-3-5-9(10)14/h3-8H,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyZQENYXMQCQWYHK-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
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-hydrazinyl-5-propan-2-yl-N-(2-propylphenyl)pyrimidin-4-amine
CID 80901927
N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80906889
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,5,6-triamine
CID 19147893
4-N-(2-bromo-3-chlorophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 103481929
N-(2-chlorophenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80927802
6-hydrazinyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80912556
4-N-(3-chloro-2-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80738260
6-chloro-N-(2-iodophenyl)-5-propan-2-ylpyrimidin-4-amine
CID 55230248
N-(4-bromo-2-methylphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80921013
N-(3-chloro-2-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80928095
6-chloro-N-naphthalen-1-yl-5-propan-2-ylpyrimidin-4-amine
CID 63734571
2-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-1,1-dimethylhydrazine
CID 83027639

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(2-chlorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine (CID 80927804) is N-(2-chlorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chlorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-chlorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine is CC(C)c1c(NN)ncnc1Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is ZQENYXMQCQWYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5/c1-8(2)11-12(16-7-17-13(11)19-15)18-10-6-4-3-5-9(10)14/h3-8H,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of N-(2-chlorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine?
N-(2-chlorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 277.76 g/mol, XLogP of 3.28, 4 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-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80927804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).