1-(2-chlorophenyl)-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methylmethanamine

C14H18ClN5 — CID 80655140

IUPAC1-(2-chlorophenyl)-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methylmethanamine
SMILESCc1cc(NN)nc(CN(C)Cc2ccccc2Cl)n1
InChIInChI=1S/C14H18ClN5/c1-10-7-13(19-16)18-14(17-10)9-20(2)8-11-5-3-4-6-12(11)15/h3-7H,8-9,16H2,1-2H3,(H,17,18,19)
InChIKeyAUJZSIMZSJPFHH-UHFFFAOYSA-N
MW291.79 g/mol
LogP2.36
Rot. Bonds5

About 1-(2-chlorophenyl)-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methylmethanamine

1-(2-chlorophenyl)-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methylmethanamine (PubChem CID 80655140) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methylmethanamine
PubChem CID80655140
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC Name1-(2-chlorophenyl)-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methylmethanamine
SMILESCc1cc(NN)nc(CN(C)Cc2ccccc2Cl)n1
InChIInChI=1S/C14H18ClN5/c1-10-7-13(19-16)18-14(17-10)9-20(2)8-11-5-3-4-6-12(11)15/h3-7H,8-9,16H2,1-2H3,(H,17,18,19)
InChIKeyAUJZSIMZSJPFHH-UHFFFAOYSA-N
XLogP2.36
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 52.36
H-Bond Donors ≤ 52
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-[(2-chlorophenyl)methyl]-1-(2-hydrazinyl-4-pyridinyl)-N-methylmethanamine
CID 62471911
N-ethyl-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyrimidin-4-amine
CID 80657417
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
4-N-[(2-chlorophenyl)methyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80898733
[6-methyl-2-[(2-methylphenyl)methyl]pyrimidin-4-yl]hydrazine
CID 62252730
3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]-2-methylpropanenitrile
CID 80655877
1-[[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105417038
5-chloro-6-[[(2-chlorophenyl)methyl-methylamino]methyl]-N-ethylpyridin-2-amine
CID 62892052
N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methylcyclohexanamine
CID 80655142
2-[[(2-fluorophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine
CID 80656876
[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine
CID 114478646
6-[[(2-chlorophenyl)methyl-methylamino]methyl]-N-methylpyridin-2-amine
CID 79243670

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methylmethanamine (CID 80655140) is 1-(2-chlorophenyl)-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methylmethanamine is Cc1cc(NN)nc(CN(C)Cc2ccccc2Cl)n1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methylmethanamine?
The InChIKey is AUJZSIMZSJPFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c1-10-7-13(19-16)18-14(17-10)9-20(2)8-11-5-3-4-6-12(11)15/h3-7H,8-9,16H2,1-2H3,(H,17,18,19).
What are the key properties of 1-(2-chlorophenyl)-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methylmethanamine?
1-(2-chlorophenyl)-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methylmethanamine has a molecular weight of 291.79 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 80655140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).