6-chloro-N-[2-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine

C13H13Cl2N3 — CID 55229875

IUPAC6-chloro-N-[2-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NCCc1ccc(Cl)cc1
InChIInChI=1S/C13H13Cl2N3/c1-9-12(15)17-8-18-13(9)16-7-6-10-2-4-11(14)5-3-10/h2-5,8H,6-7H2,1H3,(H,16,17,18)
InChIKeyATLDGVWJUWPXPO-UHFFFAOYSA-N
MW282.17 g/mol
LogP3.75
Rot. Bonds4

About 6-chloro-N-[2-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine

6-chloro-N-[2-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine (PubChem CID 55229875) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine
PubChem CID55229875
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC Name6-chloro-N-[2-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NCCc1ccc(Cl)cc1
InChIInChI=1S/C13H13Cl2N3/c1-9-12(15)17-8-18-13(9)16-7-6-10-2-4-11(14)5-3-10/h2-5,8H,6-7H2,1H3,(H,16,17,18)
InChIKeyATLDGVWJUWPXPO-UHFFFAOYSA-N
XLogP3.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[2-(4-chlorophenyl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80794560
N-butyl-6-chloro-5-methylpyrimidin-4-amine
CID 63729913
6-chloro-N-ethyl-5-methylpyrimidin-4-amine
CID 63734594
6-chloro-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 63729718
6-chloro-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine
CID 63728744
N-[2-(4-chlorophenyl)ethyl]-9-methylpurin-6-amine
CID 163344769
N-(6-chloro-5-methylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 63734759
4-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol
CID 106842912
6-chloro-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 106421609
6-chloro-N-[2-(4-chlorophenyl)-3-methylbutyl]-5-methylpyrimidin-4-amine
CID 13342996
4-N-[(4-chlorophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80765162
6-chloro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,5-diamine
CID 55134343

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine (CID 55229875) is 6-chloro-N-[2-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine is Cc1c(Cl)ncnc1NCCc1ccc(Cl)cc1.
What is the InChIKey of 6-chloro-N-[2-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine?
The InChIKey is ATLDGVWJUWPXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c1-9-12(15)17-8-18-13(9)16-7-6-10-2-4-11(14)5-3-10/h2-5,8H,6-7H2,1H3,(H,16,17,18).
What are the key properties of 6-chloro-N-[2-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine?
6-chloro-N-[2-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine has a molecular weight of 282.17 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 55229875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).