N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-2-amine

C15H27N3O2 — CID 106667482

IUPACN-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
SMILESCOC(C)(C)CCOc1ncc(CNC(C)C)c(C)n1
InChIInChI=1S/C15H27N3O2/c1-11(2)16-9-13-10-17-14(18-12(13)3)20-8-7-15(4,5)19-6/h10-11,16H,7-9H2,1-6H3
InChIKeyIDLXCTQVISFCSO-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.48
Rot. Bonds8

About N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-2-amine

N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 106667482) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
PubChem CID106667482
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
SMILESCOC(C)(C)CCOc1ncc(CNC(C)C)c(C)n1
InChIInChI=1S/C15H27N3O2/c1-11(2)16-9-13-10-17-14(18-12(13)3)20-8-7-15(4,5)19-6/h10-11,16H,7-9H2,1-6H3
InChIKeyIDLXCTQVISFCSO-UHFFFAOYSA-N
XLogP2.48
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-2-amine (CID 106667482) is N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-2-amine is COC(C)(C)CCOc1ncc(CNC(C)C)c(C)n1.
What is the InChIKey of N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is IDLXCTQVISFCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-11(2)16-9-13-10-17-14(18-12(13)3)20-8-7-15(4,5)19-6/h10-11,16H,7-9H2,1-6H3.
What are the key properties of N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 106667482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).