N-(2-chloro-4-methylphenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine

C14H18ClN5 — CID 80946977

IUPACN-(2-chloro-4-methylphenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)cc(Nc2ccc(C)cc2Cl)n1
InChIInChI=1S/C14H18ClN5/c1-3-4-12-18-13(8-14(19-12)20-16)17-11-6-5-9(2)7-10(11)15/h5-8H,3-4,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyLEZZAOJTZAETDG-UHFFFAOYSA-N
MW291.79 g/mol
LogP3.42
Rot. Bonds5

About N-(2-chloro-4-methylphenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine

N-(2-chloro-4-methylphenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine (PubChem CID 80946977) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
PubChem CID80946977
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC NameN-(2-chloro-4-methylphenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)cc(Nc2ccc(C)cc2Cl)n1
InChIInChI=1S/C14H18ClN5/c1-3-4-12-18-13(8-14(19-12)20-16)17-11-6-5-9(2)7-10(11)15/h5-8H,3-4,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyLEZZAOJTZAETDG-UHFFFAOYSA-N
XLogP3.42
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 53.42
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

N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 107795388
N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80969702
N-(2,4-dichlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80937232
4-N-(4-bromo-2-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80939644
4-N-(2-chloro-4-methylphenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80754804
N-(2-chloro-4-methylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80919851
4-N-(2-chloro-4-methylphenyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80755241
N-(2,6-dichloro-4-fluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 83073478
N-(2-chlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80938024
4-N-(2-chloro-4-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80755521
4-N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80957024
4-N-(2-bromo-5-methylphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 82758688

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine?
The IUPAC name of N-(2-chloro-4-methylphenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine (CID 80946977) is N-(2-chloro-4-methylphenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine is CCCc1nc(NN)cc(Nc2ccc(C)cc2Cl)n1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine?
The InChIKey is LEZZAOJTZAETDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c1-3-4-12-18-13(8-14(19-12)20-16)17-11-6-5-9(2)7-10(11)15/h5-8H,3-4,16H2,1-2H3,(H2,17,18,19,20).
What are the key properties of N-(2-chloro-4-methylphenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine?
N-(2-chloro-4-methylphenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine has a molecular weight of 291.79 g/mol, XLogP of 3.42, 5 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)-6-hydrazinyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80946977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).