1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperidine-3-carboxamide

C12H20N6O2 — CID 80757168

IUPAC1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperidine-3-carboxamide
SMILESCCNc1nc(OC)nc(N2CCCC(C(N)=O)C2)n1
InChIInChI=1S/C12H20N6O2/c1-3-14-10-15-11(17-12(16-10)20-2)18-6-4-5-8(7-18)9(13)19/h8H,3-7H2,1-2H3,(H2,13,19)(H,14,15,16,17)
InChIKeyLIOLPHDHJFALIB-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.01
Rot. Bonds5

About 1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperidine-3-carboxamide

1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperidine-3-carboxamide (PubChem CID 80757168) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperidine-3-carboxamide
PubChem CID80757168
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Name1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperidine-3-carboxamide
SMILESCCNc1nc(OC)nc(N2CCCC(C(N)=O)C2)n1
InChIInChI=1S/C12H20N6O2/c1-3-14-10-15-11(17-12(16-10)20-2)18-6-4-5-8(7-18)9(13)19/h8H,3-7H2,1-2H3,(H2,13,19)(H,14,15,16,17)
InChIKeyLIOLPHDHJFALIB-UHFFFAOYSA-N
XLogP0.01
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide
CID 62857822
1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-N-ethylpiperidine-3-carboxamide
CID 133344788
1-[4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 80766965
1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide
CID 62859553
1-[2-(ethylamino)-5-methylpyrimidin-4-yl]piperidine-3-carboxamide
CID 80756566
N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 80833952
4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1-methyl-1,4-diazepan-2-one
CID 102887838
4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80780634
3-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid
CID 122048209
(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7353330
[1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]azepan-2-yl]methanol
CID 116640734
1-(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide
CID 80756673

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperidine-3-carboxamide?
The IUPAC name of 1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperidine-3-carboxamide (CID 80757168) is 1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperidine-3-carboxamide is CCNc1nc(OC)nc(N2CCCC(C(N)=O)C2)n1.
What is the InChIKey of 1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperidine-3-carboxamide?
The InChIKey is LIOLPHDHJFALIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-3-14-10-15-11(17-12(16-10)20-2)18-6-4-5-8(7-18)9(13)19/h8H,3-7H2,1-2H3,(H2,13,19)(H,14,15,16,17).
What are the key properties of 1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperidine-3-carboxamide?
1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperidine-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 80757168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).