3-(4,6-dimethyl-2-propylpyrimidin-5-yl)propan-1-amine

C12H21N3 — CID 62745596

IUPAC3-(4,6-dimethyl-2-propylpyrimidin-5-yl)propan-1-amine
SMILESCCCc1nc(C)c(CCCN)c(C)n1
InChIInChI=1S/C12H21N3/c1-4-6-12-14-9(2)11(7-5-8-13)10(3)15-12/h4-8,13H2,1-3H3
InChIKeyLSBQVAUMYACGNF-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.94
Rot. Bonds5

About 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)propan-1-amine

3-(4,6-dimethyl-2-propylpyrimidin-5-yl)propan-1-amine (PubChem CID 62745596) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-propylpyrimidin-5-yl)propan-1-amine
PubChem CID62745596
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-(4,6-dimethyl-2-propylpyrimidin-5-yl)propan-1-amine
SMILESCCCc1nc(C)c(CCCN)c(C)n1
InChIInChI=1S/C12H21N3/c1-4-6-12-14-9(2)11(7-5-8-13)10(3)15-12/h4-8,13H2,1-3H3
InChIKeyLSBQVAUMYACGNF-UHFFFAOYSA-N
XLogP1.94
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)propan-1-amine?
The IUPAC name of 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)propan-1-amine (CID 62745596) is 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)propan-1-amine.
What is the SMILES notation for 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)propan-1-amine?
The canonical SMILES for 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)propan-1-amine is CCCc1nc(C)c(CCCN)c(C)n1.
What is the InChIKey of 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)propan-1-amine?
The InChIKey is LSBQVAUMYACGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-6-12-14-9(2)11(7-5-8-13)10(3)15-12/h4-8,13H2,1-3H3.
What are the key properties of 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)propan-1-amine?
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)propan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)propan-1-amine is sourced from PubChem (CID 62745596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).