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

C14H26N6O — CID 80810981

IUPAC4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NCC)nc(N2CCC(N(C)C)C2)n1
InChIInChI=1S/C14H26N6O/c1-5-9-21-14-17-12(15-6-2)16-13(18-14)20-8-7-11(10-20)19(3)4/h11H,5-10H2,1-4H3,(H,15,16,17,18)
InChIKeyQFMLUGDUBLNETO-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.23
Rot. Bonds7

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

4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80810981) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80810981
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NCC)nc(N2CCC(N(C)C)C2)n1
InChIInChI=1S/C14H26N6O/c1-5-9-21-14-17-12(15-6-2)16-13(18-14)20-8-7-11(10-20)19(3)4/h11H,5-10H2,1-4H3,(H,15,16,17,18)
InChIKeyQFMLUGDUBLNETO-UHFFFAOYSA-N
XLogP1.23
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol
CID 114684040
4-(3,4-dimethylpyrrolidin-1-yl)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
CID 80848798
1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol
CID 106674611
4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 81465005
4-[2-(dimethylamino)ethoxy]-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80879166
N-ethyl-4-(2-methylazepan-1-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 80821345
1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
CID 102971915
N-ethyl-4-hexoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80842497
4-(azepan-1-yl)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 80750532
4-(3-ethylpiperidin-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80793428
4-ethoxy-N-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
CID 80820012
4-ethoxy-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80767228

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-6-propoxy-1,3,5-triazin-2-amine (CID 80810981) is 4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(NCC)nc(N2CCC(N(C)C)C2)n1.
What is the InChIKey of 4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is QFMLUGDUBLNETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-5-9-21-14-17-12(15-6-2)16-13(18-14)20-8-7-11(10-20)19(3)4/h11H,5-10H2,1-4H3,(H,15,16,17,18).
What are the key properties of 4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-6-propoxy-1,3,5-triazin-2-amine?
4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 294.40 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80810981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).