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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Related Compounds

6-cyclopentyl-2-[cyclopropyl(ethoxy)methyl]-N-methylpyrimidin-4-amine
CID 116730104
2-[cyclopropyl(ethoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine
CID 116728820
2-[cyclopropyl(ethoxy)methyl]-6-methylpyrimidine-4-carbaldehyde
CID 116730994
2-(1-ethoxy-4-methylcyclohexyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116776165
2-[cyclopropyl(ethoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 116728413
[2-[cyclohexyl(ethoxy)methyl]-6-propan-2-ylpyrimidin-4-yl]hydrazine
CID 116777584
2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116776158
2-(1-ethoxycycloheptyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116776166
6-(methoxymethyl)-2-(2-methoxypropan-2-yl)-N-methylpyrimidin-4-amine
CID 79198529
2-(2-methoxyethyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 62318766
2-[cyclohexyl(methoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine
CID 116775882
2-cyclopropyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 62320790

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).