1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)ethanamine

C11H19N3 — CID 77361370

IUPAC1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)ethanamine
SMILESCc1nc(C(C)N)nc(C)c1C(C)C
InChIInChI=1S/C11H19N3/c1-6(2)10-8(4)13-11(7(3)12)14-9(10)5/h6-7H,12H2,1-5H3
InChIKeyKPFJYSHIMHHTNZ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.24
Rot. Bonds2

About 1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)ethanamine

1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)ethanamine (PubChem CID 77361370) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)ethanamine
PubChem CID77361370
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)ethanamine
SMILESCc1nc(C(C)N)nc(C)c1C(C)C
InChIInChI=1S/C11H19N3/c1-6(2)10-8(4)13-11(7(3)12)14-9(10)5/h6-7H,12H2,1-5H3
InChIKeyKPFJYSHIMHHTNZ-UHFFFAOYSA-N
XLogP2.24
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)ethanamine?
The IUPAC name of 1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)ethanamine (CID 77361370) is 1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)ethanamine.
What is the SMILES notation for 1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)ethanamine?
The canonical SMILES for 1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)ethanamine is Cc1nc(C(C)N)nc(C)c1C(C)C.
What is the InChIKey of 1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)ethanamine?
The InChIKey is KPFJYSHIMHHTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-6(2)10-8(4)13-11(7(3)12)14-9(10)5/h6-7H,12H2,1-5H3.
What are the key properties of 1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)ethanamine?
1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)ethanamine has a molecular weight of 193.29 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)ethanamine is sourced from PubChem (CID 77361370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).