5-chloro-N-[(3-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine

C12H13Cl2N5 — CID 80898727

IUPAC5-chloro-N-[(3-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine
SMILESCN(Cc1cccc(Cl)c1)c1nc(NN)ncc1Cl
InChIInChI=1S/C12H13Cl2N5/c1-19(7-8-3-2-4-9(13)5-8)11-10(14)6-16-12(17-11)18-15/h2-6H,7,15H2,1H3,(H,16,17,18)
InChIKeyLSPHPBIKZMUHNK-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.71
Rot. Bonds4

About 5-chloro-N-[(3-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine

5-chloro-N-[(3-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine (PubChem CID 80898727) has the molecular formula C12H13Cl2N5 and a molecular weight of 298.18 g/mol. Its IUPAC name is 5-chloro-N-[(3-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[(3-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine
PubChem CID80898727
Molecular FormulaC12H13Cl2N5
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name5-chloro-N-[(3-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine
SMILESCN(Cc1cccc(Cl)c1)c1nc(NN)ncc1Cl
InChIInChI=1S/C12H13Cl2N5/c1-19(7-8-3-2-4-9(13)5-8)11-10(14)6-16-12(17-11)18-15/h2-6H,7,15H2,1H3,(H,16,17,18)
InChIKeyLSPHPBIKZMUHNK-UHFFFAOYSA-N
XLogP2.71
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.71
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

5-chloro-N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine
CID 80896298
5-bromo-4-N-[(3-chlorophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794306
5-bromo-4-N-[(3-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794744
5-bromo-2-N-[(3-chlorophenyl)methyl]-2-N-methylpyridine-2,3-diamine
CID 61413712
5-chloro-2-hydrazinyl-N-methyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 80932166
2-N-[(3-chlorophenyl)methyl]-2-N,6-dimethylpyridine-2,3-diamine
CID 81131729
5-chloro-2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 80914641
5-chloro-2-hydrazinyl-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine
CID 80913814
4-N-[(3-chlorophenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80794023
6-N-[(3-chlorophenyl)methyl]-6-N-methylpyridine-2,6-diamine
CID 80646738
2-hydrazinyl-N,5-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80907599
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105389320

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[(3-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine (CID 80898727) is 5-chloro-N-[(3-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[(3-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[(3-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine is CN(Cc1cccc(Cl)c1)c1nc(NN)ncc1Cl.
What is the InChIKey of 5-chloro-N-[(3-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine?
The InChIKey is LSPHPBIKZMUHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N5/c1-19(7-8-3-2-4-9(13)5-8)11-10(14)6-16-12(17-11)18-15/h2-6H,7,15H2,1H3,(H,16,17,18).
What are the key properties of 5-chloro-N-[(3-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine?
5-chloro-N-[(3-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine has a molecular weight of 298.18 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80898727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).