6-chloro-N-[2-(4-chlorophenyl)-3-methylbutyl]-5-methylpyrimidin-4-amine

C16H19Cl2N3 — CID 13342996

IUPAC6-chloro-N-[2-(4-chlorophenyl)-3-methylbutyl]-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NCC(c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C16H19Cl2N3/c1-10(2)14(12-4-6-13(17)7-5-12)8-19-16-11(3)15(18)20-9-21-16/h4-7,9-10,14H,8H2,1-3H3,(H,19,20,21)
InChIKeyVFAXCXCRXGEVLY-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.94
Rot. Bonds5

About 6-chloro-N-[2-(4-chlorophenyl)-3-methylbutyl]-5-methylpyrimidin-4-amine

6-chloro-N-[2-(4-chlorophenyl)-3-methylbutyl]-5-methylpyrimidin-4-amine (PubChem CID 13342996) has the molecular formula C16H19Cl2N3 and a molecular weight of 324.26 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-chlorophenyl)-3-methylbutyl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(4-chlorophenyl)-3-methylbutyl]-5-methylpyrimidin-4-amine
PubChem CID13342996
Molecular FormulaC16H19Cl2N3
Molecular Weight324.26 g/mol
Exact Mass323.10
IUPAC Name6-chloro-N-[2-(4-chlorophenyl)-3-methylbutyl]-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NCC(c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C16H19Cl2N3/c1-10(2)14(12-4-6-13(17)7-5-12)8-19-16-11(3)15(18)20-9-21-16/h4-7,9-10,14H,8H2,1-3H3,(H,19,20,21)
InChIKeyVFAXCXCRXGEVLY-UHFFFAOYSA-N
XLogP4.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(4-chlorophenyl)-3-methylbutyl]-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-(4-chlorophenyl)-3-methylbutyl]-5-methylpyrimidin-4-amine (CID 13342996) is 6-chloro-N-[2-(4-chlorophenyl)-3-methylbutyl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(4-chlorophenyl)-3-methylbutyl]-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(4-chlorophenyl)-3-methylbutyl]-5-methylpyrimidin-4-amine is Cc1c(Cl)ncnc1NCC(c1ccc(Cl)cc1)C(C)C.
What is the InChIKey of 6-chloro-N-[2-(4-chlorophenyl)-3-methylbutyl]-5-methylpyrimidin-4-amine?
The InChIKey is VFAXCXCRXGEVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3/c1-10(2)14(12-4-6-13(17)7-5-12)8-19-16-11(3)15(18)20-9-21-16/h4-7,9-10,14H,8H2,1-3H3,(H,19,20,21).
What are the key properties of 6-chloro-N-[2-(4-chlorophenyl)-3-methylbutyl]-5-methylpyrimidin-4-amine?
6-chloro-N-[2-(4-chlorophenyl)-3-methylbutyl]-5-methylpyrimidin-4-amine has a molecular weight of 324.26 g/mol, XLogP of 4.94, 5 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)-3-methylbutyl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 13342996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).