1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-methylamino]propan-2-ol

C14H26N6O — CID 80800829

IUPAC1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
SMILESCCNc1nc(N(C)CC(C)O)nc(N2CCCCC2)n1
InChIInChI=1S/C14H26N6O/c1-4-15-12-16-13(19(3)10-11(2)21)18-14(17-12)20-8-6-5-7-9-20/h11,21H,4-10H2,1-3H3,(H,15,16,17,18)
InChIKeyATFHBNNRMLTFMR-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.11
Rot. Bonds6

About 1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-methylamino]propan-2-ol

1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-methylamino]propan-2-ol (PubChem CID 80800829) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
PubChem CID80800829
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
SMILESCCNc1nc(N(C)CC(C)O)nc(N2CCCCC2)n1
InChIInChI=1S/C14H26N6O/c1-4-15-12-16-13(19(3)10-11(2)21)18-14(17-12)20-8-6-5-7-9-20/h11,21H,4-10H2,1-3H3,(H,15,16,17,18)
InChIKeyATFHBNNRMLTFMR-UHFFFAOYSA-N
XLogP1.11
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-methylamino]propan-2-ol with MolForge

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Related Compounds

1-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
CID 80800667
1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 80779055
2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80774589
4-N-cyclopropyl-2-N-ethyl-4-N-methyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80775644
4-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]butan-2-ol
CID 80826794
2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80783139
4-N-ethyl-2-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770163
N-ethyl-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80932196
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
4-N-ethyl-2-N-(3-methylbutan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80757822
2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-methylamino]ethanol
CID 80771023
1-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
CID 80826303

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-methylamino]propan-2-ol?
The IUPAC name of 1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-methylamino]propan-2-ol (CID 80800829) is 1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-methylamino]propan-2-ol.
What is the SMILES notation for 1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-methylamino]propan-2-ol?
The canonical SMILES for 1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-methylamino]propan-2-ol is CCNc1nc(N(C)CC(C)O)nc(N2CCCCC2)n1.
What is the InChIKey of 1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-methylamino]propan-2-ol?
The InChIKey is ATFHBNNRMLTFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-4-15-12-16-13(19(3)10-11(2)21)18-14(17-12)20-8-6-5-7-9-20/h11,21H,4-10H2,1-3H3,(H,15,16,17,18).
What are the key properties of 1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-methylamino]propan-2-ol?
1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-methylamino]propan-2-ol has a molecular weight of 294.40 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-methylamino]propan-2-ol is sourced from PubChem (CID 80800829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).