6-(3,4-dimethoxypyrrolidin-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

C13H24N6O2 — CID 103542047

IUPAC6-(3,4-dimethoxypyrrolidin-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N(C)C)nc(N2CC(OC)C(OC)C2)n1
InChIInChI=1S/C13H24N6O2/c1-6-14-11-15-12(18(2)3)17-13(16-11)19-7-9(20-4)10(8-19)21-5/h9-10H,6-8H2,1-5H3,(H,14,15,16,17)
InChIKeyGUPYGEDUBGBQAE-UHFFFAOYSA-N
MW296.38 g/mol
LogP0.22
Rot. Bonds6

About 6-(3,4-dimethoxypyrrolidin-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

6-(3,4-dimethoxypyrrolidin-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 103542047) has the molecular formula C13H24N6O2 and a molecular weight of 296.38 g/mol. Its IUPAC name is 6-(3,4-dimethoxypyrrolidin-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3,4-dimethoxypyrrolidin-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID103542047
Molecular FormulaC13H24N6O2
Molecular Weight296.38 g/mol
Exact Mass296.20
IUPAC Name6-(3,4-dimethoxypyrrolidin-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N(C)C)nc(N2CC(OC)C(OC)C2)n1
InChIInChI=1S/C13H24N6O2/c1-6-14-11-15-12(18(2)3)17-13(16-11)19-7-9(20-4)10(8-19)21-5/h9-10H,6-8H2,1-5H3,(H,14,15,16,17)
InChIKeyGUPYGEDUBGBQAE-UHFFFAOYSA-N
XLogP0.22
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(3,4-dimethoxypyrrolidin-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-(3,4-dimethoxypyrrolidin-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 103542142
4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 103541981
[1-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol
CID 80793310
2-N-ethyl-4-N,4-N-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine
CID 80805026
1-[4-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 80751565
6-(4-methoxypiperidin-1-yl)-4-N,4-N-dimethyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771750
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 82752442
6-(3-cyclopropylpyrazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80868641
[1-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol
CID 80794784
4-N-cyclopropyl-2-N-ethyl-4-N-methyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80775644
4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 81465005
2-N-ethyl-6-(3-ethylmorpholin-4-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80789841

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxypyrrolidin-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3,4-dimethoxypyrrolidin-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 103542047) is 6-(3,4-dimethoxypyrrolidin-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3,4-dimethoxypyrrolidin-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3,4-dimethoxypyrrolidin-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is CCNc1nc(N(C)C)nc(N2CC(OC)C(OC)C2)n1.
What is the InChIKey of 6-(3,4-dimethoxypyrrolidin-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is GUPYGEDUBGBQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O2/c1-6-14-11-15-12(18(2)3)17-13(16-11)19-7-9(20-4)10(8-19)21-5/h9-10H,6-8H2,1-5H3,(H,14,15,16,17).
What are the key properties of 6-(3,4-dimethoxypyrrolidin-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-(3,4-dimethoxypyrrolidin-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 296.38 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxypyrrolidin-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 103542047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).