N-(2-chloro-4-methylphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine

C14H18ClN5 — CID 81006005

IUPACN-(2-chloro-4-methylphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(NN)c(C)c(Nc2ccc(C)cc2Cl)n1
InChIInChI=1S/C14H18ClN5/c1-4-12-18-13(9(3)14(19-12)20-16)17-11-6-5-8(2)7-10(11)15/h5-7H,4,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyGIOBXRIZMGICLM-UHFFFAOYSA-N
MW291.79 g/mol
LogP3.34
Rot. Bonds4

About N-(2-chloro-4-methylphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine

N-(2-chloro-4-methylphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine (PubChem CID 81006005) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
PubChem CID81006005
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC NameN-(2-chloro-4-methylphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(NN)c(C)c(Nc2ccc(C)cc2Cl)n1
InChIInChI=1S/C14H18ClN5/c1-4-12-18-13(9(3)14(19-12)20-16)17-11-6-5-8(2)7-10(11)15/h5-7H,4,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyGIOBXRIZMGICLM-UHFFFAOYSA-N
XLogP3.34
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 53.34
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-(2-chloro-4-methylphenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80976266
4-N-(4-bromo-2-chlorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80994019
N-(2-chloro-5-methoxyphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81005929
2-ethyl-6-hydrazinyl-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 81006724
2-ethyl-6-hydrazinyl-N-(2-iodophenyl)-5-methylpyrimidin-4-amine
CID 81007542
N-(2-chloro-4-fluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80918517
6-chloro-N-(2,5-dimethylphenyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80974443
N-(2,4-dimethylphenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80928326
4-N-(2,5-dimethylphenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80977275
N-(3,4-dichlorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81007312
N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 80995143
6-chloro-2-ethyl-5-methyl-N-(2,4,5-trichlorophenyl)pyrimidin-4-amine
CID 80973855

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine (CID 81006005) is N-(2-chloro-4-methylphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine is CCc1nc(NN)c(C)c(Nc2ccc(C)cc2Cl)n1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine?
The InChIKey is GIOBXRIZMGICLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c1-4-12-18-13(9(3)14(19-12)20-16)17-11-6-5-8(2)7-10(11)15/h5-7H,4,16H2,1-3H3,(H2,17,18,19,20).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine?
N-(2-chloro-4-methylphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine has a molecular weight of 291.79 g/mol, XLogP of 3.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 81006005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).