4-ethoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine

C12H21N5O2 — CID 80844616

IUPAC4-ethoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(N2CCC(COC)C2)n1
InChIInChI=1S/C12H21N5O2/c1-4-19-12-15-10(13-2)14-11(16-12)17-6-5-9(7-17)8-18-3/h9H,4-8H2,1-3H3,(H,13,14,15,16)
InChIKeyCEJQWWIECVLLEV-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.78
Rot. Bonds6

About 4-ethoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine

4-ethoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80844616) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-ethoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine
PubChem CID80844616
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name4-ethoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(N2CCC(COC)C2)n1
InChIInChI=1S/C12H21N5O2/c1-4-19-12-15-10(13-2)14-11(16-12)17-6-5-9(7-17)8-18-3/h9H,4-8H2,1-3H3,(H,13,14,15,16)
InChIKeyCEJQWWIECVLLEV-UHFFFAOYSA-N
XLogP0.78
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethoxy-N-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
CID 80820012
4-ethoxy-N-methyl-6-(4-propylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 80821666
4-(4-cyclopropylpiperazin-1-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 80799026
4-ethoxy-N-methyl-6-(4-methylazepan-1-yl)-1,3,5-triazin-2-amine
CID 80834392
4-(3-ethylpiperidin-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80793428
2-[1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol
CID 114802906
2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-6-propoxy-1,3,5-triazine
CID 64597022
[4-ethoxy-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80899195
4-ethoxy-6-(4-ethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80780550
4-(cyclopropylmethoxy)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 80867578
2-[1-[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol
CID 114802852
2-[1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]piperidin-3-yl]ethanol
CID 107229222

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine (CID 80844616) is 4-ethoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine is CCOc1nc(NC)nc(N2CCC(COC)C2)n1.
What is the InChIKey of 4-ethoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is CEJQWWIECVLLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-4-19-12-15-10(13-2)14-11(16-12)17-6-5-9(7-17)8-18-3/h9H,4-8H2,1-3H3,(H,13,14,15,16).
What are the key properties of 4-ethoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine?
4-ethoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 267.33 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80844616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).