6-chloro-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidin-4-amine

C14H15Cl2N3 — CID 63729135

IUPAC6-chloro-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NC(C)c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H15Cl2N3/c1-8-13(16)18-10(3)19-14(8)17-9(2)11-4-6-12(15)7-5-11/h4-7,9H,1-3H3,(H,17,18,19)
InChIKeyUDZQAFVKAZAYJP-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.57
Rot. Bonds3

About 6-chloro-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidin-4-amine

6-chloro-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidin-4-amine (PubChem CID 63729135) has the molecular formula C14H15Cl2N3 and a molecular weight of 296.20 g/mol. Its IUPAC name is 6-chloro-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidin-4-amine
PubChem CID63729135
Molecular FormulaC14H15Cl2N3
Molecular Weight296.20 g/mol
Exact Mass295.06
IUPAC Name6-chloro-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NC(C)c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H15Cl2N3/c1-8-13(16)18-10(3)19-14(8)17-9(2)11-4-6-12(15)7-5-11/h4-7,9H,1-3H3,(H,17,18,19)
InChIKeyUDZQAFVKAZAYJP-UHFFFAOYSA-N
XLogP4.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidin-4-amine (CID 63729135) is 6-chloro-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidin-4-amine is Cc1nc(Cl)c(C)c(NC(C)c2ccc(Cl)cc2)n1.
What is the InChIKey of 6-chloro-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidin-4-amine?
The InChIKey is UDZQAFVKAZAYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3/c1-8-13(16)18-10(3)19-14(8)17-9(2)11-4-6-12(15)7-5-11/h4-7,9H,1-3H3,(H,17,18,19).
What are the key properties of 6-chloro-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidin-4-amine?
6-chloro-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidin-4-amine has a molecular weight of 296.20 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 63729135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).