N-[[2-(1-ethoxyethyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine

C14H25N3O — CID 64533425

IUPACN-[[2-(1-ethoxyethyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCOC(C)c1nc(C)cc(CNC(C)(C)C)n1
InChIInChI=1S/C14H25N3O/c1-7-18-11(3)13-16-10(2)8-12(17-13)9-15-14(4,5)6/h8,11,15H,7,9H2,1-6H3
InChIKeyVTGMRYLNNMCDPI-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.77
Rot. Bonds5

About N-[[2-(1-ethoxyethyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine

N-[[2-(1-ethoxyethyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 64533425) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[2-(1-ethoxyethyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-ethoxyethyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID64533425
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[[2-(1-ethoxyethyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCOC(C)c1nc(C)cc(CNC(C)(C)C)n1
InChIInChI=1S/C14H25N3O/c1-7-18-11(3)13-16-10(2)8-12(17-13)9-15-14(4,5)6/h8,11,15H,7,9H2,1-6H3
InChIKeyVTGMRYLNNMCDPI-UHFFFAOYSA-N
XLogP2.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethoxyethyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(1-ethoxyethyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine (CID 64533425) is N-[[2-(1-ethoxyethyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(1-ethoxyethyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(1-ethoxyethyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine is CCOC(C)c1nc(C)cc(CNC(C)(C)C)n1.
What is the InChIKey of N-[[2-(1-ethoxyethyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is VTGMRYLNNMCDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-7-18-11(3)13-16-10(2)8-12(17-13)9-15-14(4,5)6/h8,11,15H,7,9H2,1-6H3.
What are the key properties of N-[[2-(1-ethoxyethyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(1-ethoxyethyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethoxyethyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 64533425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).