5-chloro-4-N-[1-(3-chlorophenyl)ethyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine

C14H16Cl2N4 — CID 80823025

IUPAC5-chloro-4-N-[1-(3-chlorophenyl)ethyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(N(C)C(C)c2cccc(Cl)c2)n1
InChIInChI=1S/C14H16Cl2N4/c1-9(10-5-4-6-11(15)7-10)20(3)13-12(16)8-18-14(17-2)19-13/h4-9H,1-3H3,(H,17,18,19)
InChIKeyAZBCJHCMNQPPKQ-UHFFFAOYSA-N
MW311.22 g/mol
LogP4.02
Rot. Bonds4

About 5-chloro-4-N-[1-(3-chlorophenyl)ethyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine

5-chloro-4-N-[1-(3-chlorophenyl)ethyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 80823025) has the molecular formula C14H16Cl2N4 and a molecular weight of 311.22 g/mol. Its IUPAC name is 5-chloro-4-N-[1-(3-chlorophenyl)ethyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[1-(3-chlorophenyl)ethyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID80823025
Molecular FormulaC14H16Cl2N4
Molecular Weight311.22 g/mol
Exact Mass310.08
IUPAC Name5-chloro-4-N-[1-(3-chlorophenyl)ethyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(N(C)C(C)c2cccc(Cl)c2)n1
InChIInChI=1S/C14H16Cl2N4/c1-9(10-5-4-6-11(15)7-10)20(3)13-12(16)8-18-14(17-2)19-13/h4-9H,1-3H3,(H,17,18,19)
InChIKeyAZBCJHCMNQPPKQ-UHFFFAOYSA-N
XLogP4.02
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[1-(3-chlorophenyl)ethyl]-2-N-ethyl-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 80809659
5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926352
3-bromo-N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyridin-2-amine
CID 105367908
5-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid
CID 63537031
6-(aminomethyl)-5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 62984551
5-chloro-4-N-(4-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80816956
4-N-[1-(3-chlorophenyl)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80809297
6-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-nitropyridin-2-amine
CID 62985307
3,5-dichloro-6-N-[1-(4-chlorophenyl)ethyl]-2-N,6-N-dimethylpyridine-2,6-diamine
CID 102758070
6-chloro-4-N-[1-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-2,4-diamine
CID 47283103
5-bromo-4-N-[(3-chlorophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794306
4-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpyrimidine-5-carbaldehyde
CID 80725929

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[1-(3-chlorophenyl)ethyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-[1-(3-chlorophenyl)ethyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine (CID 80823025) is 5-chloro-4-N-[1-(3-chlorophenyl)ethyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-[1-(3-chlorophenyl)ethyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-[1-(3-chlorophenyl)ethyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine is CNc1ncc(Cl)c(N(C)C(C)c2cccc(Cl)c2)n1.
What is the InChIKey of 5-chloro-4-N-[1-(3-chlorophenyl)ethyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is AZBCJHCMNQPPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4/c1-9(10-5-4-6-11(15)7-10)20(3)13-12(16)8-18-14(17-2)19-13/h4-9H,1-3H3,(H,17,18,19).
What are the key properties of 5-chloro-4-N-[1-(3-chlorophenyl)ethyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
5-chloro-4-N-[1-(3-chlorophenyl)ethyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 311.22 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[1-(3-chlorophenyl)ethyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80823025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).