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

C12H14ClN5 — CID 80899795

IUPACN-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccc(Cl)cc1)c1ccnc(NN)n1
InChIInChI=1S/C12H14ClN5/c1-18(8-9-2-4-10(13)5-3-9)11-6-7-15-12(16-11)17-14/h2-7H,8,14H2,1H3,(H,15,16,17)
InChIKeySUKSUHHIMPTFBC-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.05
Rot. Bonds4

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

N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine (PubChem CID 80899795) has the molecular formula C12H14ClN5 and a molecular weight of 263.73 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine
PubChem CID80899795
Molecular FormulaC12H14ClN5
Molecular Weight263.73 g/mol
Exact Mass263.09
IUPAC NameN-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccc(Cl)cc1)c1ccnc(NN)n1
InChIInChI=1S/C12H14ClN5/c1-18(8-9-2-4-10(13)5-3-9)11-6-7-15-12(16-11)17-14/h2-7H,8,14H2,1H3,(H,15,16,17)
InChIKeySUKSUHHIMPTFBC-UHFFFAOYSA-N
XLogP2.05
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.05
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-[(4-chlorophenyl)methyl]-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80896376
5-chloro-N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine
CID 80896298
4-N-[(4-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794760
1-[(2-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80922992
2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794813
2-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794622
4-N-[(4-chlorophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 113221848
2-N-[(4-chlorophenyl)methyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112892018
4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80794598
N-[(4-chlorophenyl)methyl]-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine
CID 80943087
4-N-benzyl-4-N-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112890671
4-N-benzyl-4-N-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112890797

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine (CID 80899795) is N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine is CN(Cc1ccc(Cl)cc1)c1ccnc(NN)n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine?
The InChIKey is SUKSUHHIMPTFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5/c1-18(8-9-2-4-10(13)5-3-9)11-6-7-15-12(16-11)17-14/h2-7H,8,14H2,1H3,(H,15,16,17).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine?
N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine has a molecular weight of 263.73 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80899795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).