5-benzyl-4,6-dimethylpyrimidin-2-amine

C13H15N3 — CID 647495

IUPAC5-benzyl-4,6-dimethylpyrimidin-2-amine
SMILESCc1nc(N)nc(C)c1Cc1ccccc1
InChIInChI=1S/C13H15N3/c1-9-12(10(2)16-13(14)15-9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H2,14,15,16)
InChIKeyOOXQQUJJUAIJJC-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.27
Rot. Bonds2

About 5-benzyl-4,6-dimethylpyrimidin-2-amine

5-benzyl-4,6-dimethylpyrimidin-2-amine (PubChem CID 647495) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-benzyl-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-benzyl-4,6-dimethylpyrimidin-2-amine
PubChem CID647495
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name5-benzyl-4,6-dimethylpyrimidin-2-amine
SMILESCc1nc(N)nc(C)c1Cc1ccccc1
InChIInChI=1S/C13H15N3/c1-9-12(10(2)16-13(14)15-9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H2,14,15,16)
InChIKeyOOXQQUJJUAIJJC-UHFFFAOYSA-N
XLogP2.27
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of 5-benzyl-4,6-dimethylpyrimidin-2-amine (CID 647495) is 5-benzyl-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-benzyl-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-benzyl-4,6-dimethylpyrimidin-2-amine is Cc1nc(N)nc(C)c1Cc1ccccc1.
What is the InChIKey of 5-benzyl-4,6-dimethylpyrimidin-2-amine?
The InChIKey is OOXQQUJJUAIJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-9-12(10(2)16-13(14)15-9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H2,14,15,16).
What are the key properties of 5-benzyl-4,6-dimethylpyrimidin-2-amine?
5-benzyl-4,6-dimethylpyrimidin-2-amine has a molecular weight of 213.28 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 647495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).