4-(3-ethylpiperidin-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine

C14H25N5O — CID 80793428

IUPAC4-(3-ethylpiperidin-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(N2CCCC(CC)C2)n1
InChIInChI=1S/C14H25N5O/c1-4-9-20-14-17-12(15-3)16-13(18-14)19-8-6-7-11(5-2)10-19/h11H,4-10H2,1-3H3,(H,15,16,17,18)
InChIKeyAHTHKQVDCMKEEV-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.33
Rot. Bonds6

About 4-(3-ethylpiperidin-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine

4-(3-ethylpiperidin-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80793428) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-(3-ethylpiperidin-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-ethylpiperidin-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80793428
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name4-(3-ethylpiperidin-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(N2CCCC(CC)C2)n1
InChIInChI=1S/C14H25N5O/c1-4-9-20-14-17-12(15-3)16-13(18-14)19-8-6-7-11(5-2)10-19/h11H,4-10H2,1-3H3,(H,15,16,17,18)
InChIKeyAHTHKQVDCMKEEV-UHFFFAOYSA-N
XLogP2.33
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-(2-methylmorpholin-4-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 80764718
N-methyl-4-pentoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80865018
4-ethoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine
CID 80844616
4-hexoxy-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80842498
2-chloro-4-ethoxy-6-(3-ethylpiperidin-1-yl)-1,3,5-triazine
CID 62857566
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 82751850
2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol
CID 107228423
4-ethoxy-N-methyl-6-(4-methylazepan-1-yl)-1,3,5-triazin-2-amine
CID 80834392
N-methyl-4-(3-methylbutoxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80858158
3-[1-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 80801771
[4-(3-ethylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80898510
4-ethoxy-N-methyl-6-(4-propylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 80821666

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylpiperidin-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-ethylpiperidin-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine (CID 80793428) is 4-(3-ethylpiperidin-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-ethylpiperidin-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-ethylpiperidin-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(NC)nc(N2CCCC(CC)C2)n1.
What is the InChIKey of 4-(3-ethylpiperidin-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is AHTHKQVDCMKEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-9-20-14-17-12(15-3)16-13(18-14)19-8-6-7-11(5-2)10-19/h11H,4-10H2,1-3H3,(H,15,16,17,18).
What are the key properties of 4-(3-ethylpiperidin-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
4-(3-ethylpiperidin-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 279.39 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylpiperidin-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80793428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).