2-benzyl-6-propan-2-ylpyrimidin-4-amine

C14H17N3 — CID 62192798

IUPAC2-benzyl-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(N)nc(Cc2ccccc2)n1
InChIInChI=1S/C14H17N3/c1-10(2)12-9-13(15)17-14(16-12)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H2,15,16,17)
InChIKeyKYUAEXWLZAPEGZ-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.77
Rot. Bonds3

About 2-benzyl-6-propan-2-ylpyrimidin-4-amine

2-benzyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 62192798) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-benzyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID62192798
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-benzyl-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(N)nc(Cc2ccccc2)n1
InChIInChI=1S/C14H17N3/c1-10(2)12-9-13(15)17-14(16-12)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H2,15,16,17)
InChIKeyKYUAEXWLZAPEGZ-UHFFFAOYSA-N
XLogP2.77
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-benzyl-6-propan-2-ylpyrimidin-4-amine (CID 62192798) is 2-benzyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-benzyl-6-propan-2-ylpyrimidin-4-amine is CC(C)c1cc(N)nc(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is KYUAEXWLZAPEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-10(2)12-9-13(15)17-14(16-12)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-benzyl-6-propan-2-ylpyrimidin-4-amine?
2-benzyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 227.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 62192798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).