4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine

C14H26N6O — CID 81465005

IUPAC4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC)nc(N2CC(C)C(N(C)C)C2)n1
InChIInChI=1S/C14H26N6O/c1-6-15-12-16-13(18-14(17-12)21-7-2)20-8-10(3)11(9-20)19(4)5/h10-11H,6-9H2,1-5H3,(H,15,16,17,18)
InChIKeyJJEKCBSPCVVHTA-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.09
Rot. Bonds6

About 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine

4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine (PubChem CID 81465005) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
PubChem CID81465005
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC)nc(N2CC(C)C(N(C)C)C2)n1
InChIInChI=1S/C14H26N6O/c1-6-15-12-16-13(18-14(17-12)21-7-2)20-8-10(3)11(9-20)19(4)5/h10-11H,6-9H2,1-5H3,(H,15,16,17,18)
InChIKeyJJEKCBSPCVVHTA-UHFFFAOYSA-N
XLogP1.09
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine (CID 81465005) is 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine is CCNc1nc(OCC)nc(N2CC(C)C(N(C)C)C2)n1.
What is the InChIKey of 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine?
The InChIKey is JJEKCBSPCVVHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-6-15-12-16-13(18-14(17-12)21-7-2)20-8-10(3)11(9-20)19(4)5/h10-11H,6-9H2,1-5H3,(H,15,16,17,18).
What are the key properties of 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine?
4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine has a molecular weight of 294.40 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 81465005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).