2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine

C13H21N3O2 — CID 116729036

IUPAC2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCCOC(c1nc(COC)cc(NC)n1)C1CC1
InChIInChI=1S/C13H21N3O2/c1-4-18-12(9-5-6-9)13-15-10(8-17-3)7-11(14-2)16-13/h7,9,12H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyHGEGXKXVSFJGEQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.15
Rot. Bonds7

About 2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine

2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 116729036) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID116729036
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCCOC(c1nc(COC)cc(NC)n1)C1CC1
InChIInChI=1S/C13H21N3O2/c1-4-18-12(9-5-6-9)13-15-10(8-17-3)7-11(14-2)16-13/h7,9,12H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyHGEGXKXVSFJGEQ-UHFFFAOYSA-N
XLogP2.15
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 116729036) is 2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine is CCOC(c1nc(COC)cc(NC)n1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is HGEGXKXVSFJGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-18-12(9-5-6-9)13-15-10(8-17-3)7-11(14-2)16-13/h7,9,12H,4-6,8H2,1-3H3,(H,14,15,16).
What are the key properties of 2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 251.33 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 116729036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).