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

C12H12Cl2N4 — CID 31537704

IUPAC6-chloro-4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCN(Cc1ccccc1Cl)c1cc(Cl)nc(N)n1
InChIInChI=1S/C12H12Cl2N4/c1-18(7-8-4-2-3-5-9(8)13)11-6-10(14)16-12(15)17-11/h2-6H,7H2,1H3,(H2,15,16,17)
InChIKeyFHFWAWOVUICBSG-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.00
Rot. Bonds3

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

6-chloro-4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine (PubChem CID 31537704) has the molecular formula C12H12Cl2N4 and a molecular weight of 283.16 g/mol. Its IUPAC name is 6-chloro-4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
PubChem CID31537704
Molecular FormulaC12H12Cl2N4
Molecular Weight283.16 g/mol
Exact Mass282.04
IUPAC Name6-chloro-4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCN(Cc1ccccc1Cl)c1cc(Cl)nc(N)n1
InChIInChI=1S/C12H12Cl2N4/c1-18(7-8-4-2-3-5-9(8)13)11-6-10(14)16-12(15)17-11/h2-6H,7H2,1H3,(H2,15,16,17)
InChIKeyFHFWAWOVUICBSG-UHFFFAOYSA-N
XLogP3.00
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(2-chlorophenyl)methyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80898733
2-chloro-6-[(2-chlorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 61417393
4-N-[(2-chlorophenyl)methyl]-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126453900
6-chloro-4-N-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 31537685
4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
CID 78929716
6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 62255692
N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridin-2-amine
CID 133313300
6-(aminomethyl)-5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 62286059
4-(aminomethyl)-5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 114926248
6-chloro-4-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 31537715
4-N-[(2-chlorophenyl)methyl]-2-N,4-N,6-trimethylpyrimidine-2,4-diamine
CID 80794819
6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyrazin-2-amine
CID 66465732

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine (CID 31537704) is 6-chloro-4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine is CN(Cc1ccccc1Cl)c1cc(Cl)nc(N)n1.
What is the InChIKey of 6-chloro-4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is FHFWAWOVUICBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4/c1-18(7-8-4-2-3-5-9(8)13)11-6-10(14)16-12(15)17-11/h2-6H,7H2,1H3,(H2,15,16,17).
What are the key properties of 6-chloro-4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine?
6-chloro-4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 283.16 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 31537704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).