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

C15H27N3 — CID 55209434

IUPAC2-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
SMILESCCCc1nc(C)c(C(C)CNC(C)C)c(C)n1
InChIInChI=1S/C15H27N3/c1-7-8-14-17-12(5)15(13(6)18-14)11(4)9-16-10(2)3/h10-11,16H,7-9H2,1-6H3
InChIKeyIBIWXZLMYLPMTQ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.15
Rot. Bonds6

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

2-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 55209434) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
PubChem CID55209434
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
SMILESCCCc1nc(C)c(C(C)CNC(C)C)c(C)n1
InChIInChI=1S/C15H27N3/c1-7-8-14-17-12(5)15(13(6)18-14)11(4)9-16-10(2)3/h10-11,16H,7-9H2,1-6H3
InChIKeyIBIWXZLMYLPMTQ-UHFFFAOYSA-N
XLogP3.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine (CID 55209434) is 2-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine is CCCc1nc(C)c(C(C)CNC(C)C)c(C)n1.
What is the InChIKey of 2-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is IBIWXZLMYLPMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-7-8-14-17-12(5)15(13(6)18-14)11(4)9-16-10(2)3/h10-11,16H,7-9H2,1-6H3.
What are the key properties of 2-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine?
2-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 55209434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).