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

C13H24N6O — CID 80779055

IUPAC1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol
SMILESCCNc1nc(NCC(C)O)nc(N2CCCCC2)n1
InChIInChI=1S/C13H24N6O/c1-3-14-11-16-12(15-9-10(2)20)18-13(17-11)19-7-5-4-6-8-19/h10,20H,3-9H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyBOTDDHGBZIBBLJ-UHFFFAOYSA-N
MW280.38 g/mol
LogP1.09
Rot. Bonds6

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

1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol (PubChem CID 80779055) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol
PubChem CID80779055
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol
SMILESCCNc1nc(NCC(C)O)nc(N2CCCCC2)n1
InChIInChI=1S/C13H24N6O/c1-3-14-11-16-12(15-9-10(2)20)18-13(17-11)19-7-5-4-6-8-19/h10,20H,3-9H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyBOTDDHGBZIBBLJ-UHFFFAOYSA-N
XLogP1.09
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-N-ethyl-2-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770163
4-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]butan-2-ol
CID 80826794
3-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-hydroxypropanamide
CID 106179049
1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
CID 80800829
4-N-ethyl-2-N-(3-methylbutan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80757822
N-ethyl-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80932196
2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80779410
2-N-(2,2-dimethylpropyl)-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80775565
4-N-methyl-2-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770344
1-[[4-morpholin-4-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 80773597
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
3-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol
CID 80915279

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol?
The IUPAC name of 1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol (CID 80779055) is 1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol is CCNc1nc(NCC(C)O)nc(N2CCCCC2)n1.
What is the InChIKey of 1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol?
The InChIKey is BOTDDHGBZIBBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-3-14-11-16-12(15-9-10(2)20)18-13(17-11)19-7-5-4-6-8-19/h10,20H,3-9H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol?
1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol has a molecular weight of 280.38 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 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]amino]propan-2-ol is sourced from PubChem (CID 80779055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).