2-(3-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine

C13H14ClN3 — CID 55045730

IUPAC2-(3-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine
SMILESCNc1nc(-c2cccc(Cl)c2)nc(C)c1C
InChIInChI=1S/C13H14ClN3/c1-8-9(2)16-13(17-12(8)15-3)10-5-4-6-11(14)7-10/h4-7H,1-3H3,(H,15,16,17)
InChIKeyRALMONBTPCWLMK-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.46
Rot. Bonds2

About 2-(3-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine

2-(3-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine (PubChem CID 55045730) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine
PubChem CID55045730
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name2-(3-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine
SMILESCNc1nc(-c2cccc(Cl)c2)nc(C)c1C
InChIInChI=1S/C13H14ClN3/c1-8-9(2)16-13(17-12(8)15-3)10-5-4-6-11(14)7-10/h4-7H,1-3H3,(H,15,16,17)
InChIKeyRALMONBTPCWLMK-UHFFFAOYSA-N
XLogP3.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine?
The IUPAC name of 2-(3-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine (CID 55045730) is 2-(3-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine is CNc1nc(-c2cccc(Cl)c2)nc(C)c1C.
What is the InChIKey of 2-(3-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine?
The InChIKey is RALMONBTPCWLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-8-9(2)16-13(17-12(8)15-3)10-5-4-6-11(14)7-10/h4-7H,1-3H3,(H,15,16,17).
What are the key properties of 2-(3-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine?
2-(3-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine has a molecular weight of 247.73 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine is sourced from PubChem (CID 55045730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).