N-[[2-(methoxymethyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine

C13H23N3O — CID 55113493

IUPACN-[[2-(methoxymethyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
SMILESCOCc1nc(C)c(CNCC(C)C)c(C)n1
InChIInChI=1S/C13H23N3O/c1-9(2)6-14-7-12-10(3)15-13(8-17-5)16-11(12)4/h9,14H,6-8H2,1-5H3
InChIKeyVEUQSFHBPIUDOG-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.99
Rot. Bonds6

About N-[[2-(methoxymethyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine

N-[[2-(methoxymethyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 55113493) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID55113493
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[[2-(methoxymethyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
SMILESCOCc1nc(C)c(CNCC(C)C)c(C)n1
InChIInChI=1S/C13H23N3O/c1-9(2)6-14-7-12-10(3)15-13(8-17-5)16-11(12)4/h9,14H,6-8H2,1-5H3
InChIKeyVEUQSFHBPIUDOG-UHFFFAOYSA-N
XLogP1.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(methoxymethyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine (CID 55113493) is N-[[2-(methoxymethyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(methoxymethyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(methoxymethyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine is COCc1nc(C)c(CNCC(C)C)c(C)n1.
What is the InChIKey of N-[[2-(methoxymethyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is VEUQSFHBPIUDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9(2)6-14-7-12-10(3)15-13(8-17-5)16-11(12)4/h9,14H,6-8H2,1-5H3.
What are the key properties of N-[[2-(methoxymethyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(methoxymethyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 55113493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).