2-methyl-1-(4,5,6-trimethylpyrimidin-2-yl)propan-1-amine

C11H19N3 — CID 63321233

IUPAC2-methyl-1-(4,5,6-trimethylpyrimidin-2-yl)propan-1-amine
SMILESCc1nc(C(N)C(C)C)nc(C)c1C
InChIInChI=1S/C11H19N3/c1-6(2)10(12)11-13-8(4)7(3)9(5)14-11/h6,10H,12H2,1-5H3
InChIKeyKSALSQIKBQFALL-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.06
Rot. Bonds2

About 2-methyl-1-(4,5,6-trimethylpyrimidin-2-yl)propan-1-amine

2-methyl-1-(4,5,6-trimethylpyrimidin-2-yl)propan-1-amine (PubChem CID 63321233) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-methyl-1-(4,5,6-trimethylpyrimidin-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(4,5,6-trimethylpyrimidin-2-yl)propan-1-amine
PubChem CID63321233
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-methyl-1-(4,5,6-trimethylpyrimidin-2-yl)propan-1-amine
SMILESCc1nc(C(N)C(C)C)nc(C)c1C
InChIInChI=1S/C11H19N3/c1-6(2)10(12)11-13-8(4)7(3)9(5)14-11/h6,10H,12H2,1-5H3
InChIKeyKSALSQIKBQFALL-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4,5,6-trimethylpyrimidin-2-yl)propan-1-amine?
The IUPAC name of 2-methyl-1-(4,5,6-trimethylpyrimidin-2-yl)propan-1-amine (CID 63321233) is 2-methyl-1-(4,5,6-trimethylpyrimidin-2-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-1-(4,5,6-trimethylpyrimidin-2-yl)propan-1-amine?
The canonical SMILES for 2-methyl-1-(4,5,6-trimethylpyrimidin-2-yl)propan-1-amine is Cc1nc(C(N)C(C)C)nc(C)c1C.
What is the InChIKey of 2-methyl-1-(4,5,6-trimethylpyrimidin-2-yl)propan-1-amine?
The InChIKey is KSALSQIKBQFALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-6(2)10(12)11-13-8(4)7(3)9(5)14-11/h6,10H,12H2,1-5H3.
What are the key properties of 2-methyl-1-(4,5,6-trimethylpyrimidin-2-yl)propan-1-amine?
2-methyl-1-(4,5,6-trimethylpyrimidin-2-yl)propan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4,5,6-trimethylpyrimidin-2-yl)propan-1-amine is sourced from PubChem (CID 63321233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).