4-N-(2,6-dichlorophenyl)-6-N-ethylpyrimidine-4,6-diamine

C12H12Cl2N4 — CID 80847426

IUPAC4-N-(2,6-dichlorophenyl)-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2c(Cl)cccc2Cl)ncn1
InChIInChI=1S/C12H12Cl2N4/c1-2-15-10-6-11(17-7-16-10)18-12-8(13)4-3-5-9(12)14/h3-7H,2H2,1H3,(H2,15,16,17,18)
InChIKeyLCYXWXDWMDNVAH-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.96
Rot. Bonds4

About 4-N-(2,6-dichlorophenyl)-6-N-ethylpyrimidine-4,6-diamine

4-N-(2,6-dichlorophenyl)-6-N-ethylpyrimidine-4,6-diamine (PubChem CID 80847426) has the molecular formula C12H12Cl2N4 and a molecular weight of 283.16 g/mol. Its IUPAC name is 4-N-(2,6-dichlorophenyl)-6-N-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,6-dichlorophenyl)-6-N-ethylpyrimidine-4,6-diamine
PubChem CID80847426
Molecular FormulaC12H12Cl2N4
Molecular Weight283.16 g/mol
Exact Mass282.04
IUPAC Name4-N-(2,6-dichlorophenyl)-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2c(Cl)cccc2Cl)ncn1
InChIInChI=1S/C12H12Cl2N4/c1-2-15-10-6-11(17-7-16-10)18-12-8(13)4-3-5-9(12)14/h3-7H,2H2,1H3,(H2,15,16,17,18)
InChIKeyLCYXWXDWMDNVAH-UHFFFAOYSA-N
XLogP3.96
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(2-chlorophenyl)methyl]-6-N-ethylpyrimidine-4,6-diamine
CID 80784844
4-N-(2,6-dichlorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80959350
6-N-ethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115265643
4-N-(2,6-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 112866265
4-N-(5-chloro-2-fluorophenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80778536
4-N-(2,6-dichlorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80829581
4-N-butyl-6-N-(2,6-dichlorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112864278
6-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine
CID 66255009
N-[3-[[6-(2,6-dichloroanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866731
6-N-ethyl-4-N-(2-methyl-1H-indol-3-yl)pyrimidine-4,6-diamine
CID 115265629
4-N-(2-chloro-6-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80958496
4-N-(3-chloro-2-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855366

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-dichlorophenyl)-6-N-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,6-dichlorophenyl)-6-N-ethylpyrimidine-4,6-diamine (CID 80847426) is 4-N-(2,6-dichlorophenyl)-6-N-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,6-dichlorophenyl)-6-N-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,6-dichlorophenyl)-6-N-ethylpyrimidine-4,6-diamine is CCNc1cc(Nc2c(Cl)cccc2Cl)ncn1.
What is the InChIKey of 4-N-(2,6-dichlorophenyl)-6-N-ethylpyrimidine-4,6-diamine?
The InChIKey is LCYXWXDWMDNVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4/c1-2-15-10-6-11(17-7-16-10)18-12-8(13)4-3-5-9(12)14/h3-7H,2H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-N-(2,6-dichlorophenyl)-6-N-ethylpyrimidine-4,6-diamine?
4-N-(2,6-dichlorophenyl)-6-N-ethylpyrimidine-4,6-diamine has a molecular weight of 283.16 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-dichlorophenyl)-6-N-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80847426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).