4-N-[(2-chlorophenyl)methyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine

C12H15ClN6 — CID 80898733

IUPAC4-N-[(2-chlorophenyl)methyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
SMILESCN(Cc1ccccc1Cl)c1cc(NN)nc(N)n1
InChIInChI=1S/C12H15ClN6/c1-19(7-8-4-2-3-5-9(8)13)11-6-10(18-15)16-12(14)17-11/h2-6H,7,15H2,1H3,(H3,14,16,17,18)
InChIKeyMVCHRSVVBSWGPC-UHFFFAOYSA-N
MW278.75 g/mol
LogP1.63
Rot. Bonds4

About 4-N-[(2-chlorophenyl)methyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine

4-N-[(2-chlorophenyl)methyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine (PubChem CID 80898733) has the molecular formula C12H15ClN6 and a molecular weight of 278.75 g/mol. Its IUPAC name is 4-N-[(2-chlorophenyl)methyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2-chlorophenyl)methyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
PubChem CID80898733
Molecular FormulaC12H15ClN6
Molecular Weight278.75 g/mol
Exact Mass278.10
IUPAC Name4-N-[(2-chlorophenyl)methyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
SMILESCN(Cc1ccccc1Cl)c1cc(NN)nc(N)n1
InChIInChI=1S/C12H15ClN6/c1-19(7-8-4-2-3-5-9(8)13)11-6-10(18-15)16-12(14)17-11/h2-6H,7,15H2,1H3,(H3,14,16,17,18)
InChIKeyMVCHRSVVBSWGPC-UHFFFAOYSA-N
XLogP1.63
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-chloro-4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 31537704
6-N-ethyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4,6-triamine
CID 80794370
6-hydrazinyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80899123
N-[(2-fluorophenyl)methyl]-6-hydrazinyl-N,2-dimethylpyrimidin-4-amine
CID 80899402
4-N-[(2-chlorophenyl)methyl]-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126453900
4-N-[(2-chlorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80794976
1-(2-chlorophenyl)-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methylmethanamine
CID 80655140
4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80778356
4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
CID 78929716
4-N-[(2-chlorophenyl)methyl]-2-N,4-N,6-trimethylpyrimidine-2,4-diamine
CID 80794819
4-N-(2,2-dimethylpropyl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80903569
1-[(2-amino-6-hydrazinylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80908741

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-chlorophenyl)methyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(2-chlorophenyl)methyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine (CID 80898733) is 4-N-[(2-chlorophenyl)methyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(2-chlorophenyl)methyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(2-chlorophenyl)methyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine is CN(Cc1ccccc1Cl)c1cc(NN)nc(N)n1.
What is the InChIKey of 4-N-[(2-chlorophenyl)methyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is MVCHRSVVBSWGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6/c1-19(7-8-4-2-3-5-9(8)13)11-6-10(18-15)16-12(14)17-11/h2-6H,7,15H2,1H3,(H3,14,16,17,18).
What are the key properties of 4-N-[(2-chlorophenyl)methyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine?
4-N-[(2-chlorophenyl)methyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 278.75 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-chlorophenyl)methyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80898733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).