N-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine

C14H25N3O — CID 116731735

IUPACN-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1c(C)nc(C(OC)C(C)C)nc1C
InChIInChI=1S/C14H25N3O/c1-7-15-8-12-10(4)16-14(17-11(12)5)13(18-6)9(2)3/h9,13,15H,7-8H2,1-6H3
InChIKeyLQQZVSXBMVZKGZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.55
Rot. Bonds6

About N-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine

N-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine (PubChem CID 116731735) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
PubChem CID116731735
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1c(C)nc(C(OC)C(C)C)nc1C
InChIInChI=1S/C14H25N3O/c1-7-15-8-12-10(4)16-14(17-11(12)5)13(18-6)9(2)3/h9,13,15H,7-8H2,1-6H3
InChIKeyLQQZVSXBMVZKGZ-UHFFFAOYSA-N
XLogP2.55
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine (CID 116731735) is N-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine is CCNCc1c(C)nc(C(OC)C(C)C)nc1C.
What is the InChIKey of N-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine?
The InChIKey is LQQZVSXBMVZKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-7-15-8-12-10(4)16-14(17-11(12)5)13(18-6)9(2)3/h9,13,15H,7-8H2,1-6H3.
What are the key properties of N-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine?
N-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 116731735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).