6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine

C13H21N3O3 — CID 104762708

IUPAC6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine
SMILESCCOc1ncnc(NCC2(OC)CCOC2)c1C
InChIInChI=1S/C13H21N3O3/c1-4-19-12-10(2)11(15-9-16-12)14-7-13(17-3)5-6-18-8-13/h9H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyDACIYVZDGUAXIU-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.40
Rot. Bonds6

About 6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine

6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine (PubChem CID 104762708) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine
PubChem CID104762708
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine
SMILESCCOc1ncnc(NCC2(OC)CCOC2)c1C
InChIInChI=1S/C13H21N3O3/c1-4-19-12-10(2)11(15-9-16-12)14-7-13(17-3)5-6-18-8-13/h9H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyDACIYVZDGUAXIU-UHFFFAOYSA-N
XLogP1.40
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 104767340
6-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine
CID 104767552
6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,5-diamine
CID 104759022
1-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 66327090
4-N-[(3-methoxyoxolan-3-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 104767329
6-ethoxy-5-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]pyrimidin-4-amine
CID 114116966
3-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyridin-2-amine
CID 105367120
N-[[1-(chloromethyl)cyclohexyl]methyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 103969275
[4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106300137
3-[[(5-amino-6-ethoxypyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106099400
3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine
CID 104705532
N-[(3-methoxyoxolan-3-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 104762650

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine (CID 104762708) is 6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine is CCOc1ncnc(NCC2(OC)CCOC2)c1C.
What is the InChIKey of 6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine?
The InChIKey is DACIYVZDGUAXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-19-12-10(2)11(15-9-16-12)14-7-13(17-3)5-6-18-8-13/h9H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of 6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine?
6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine has a molecular weight of 267.33 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 104762708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).