2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-pentan-3-ylamino]ethanol

C14H28N6O — CID 80788672

IUPAC2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-pentan-3-ylamino]ethanol
SMILESCCNc1nc(N(C)C)nc(N(CCO)C(CC)CC)n1
InChIInChI=1S/C14H28N6O/c1-6-11(7-2)20(9-10-21)14-17-12(15-8-3)16-13(18-14)19(4)5/h11,21H,6-10H2,1-5H3,(H,15,16,17,18)
InChIKeySLYAYEWJZQISHC-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.36
Rot. Bonds9

About 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-pentan-3-ylamino]ethanol

2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-pentan-3-ylamino]ethanol (PubChem CID 80788672) has the molecular formula C14H28N6O and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-pentan-3-ylamino]ethanol
PubChem CID80788672
Molecular FormulaC14H28N6O
Molecular Weight296.42 g/mol
Exact Mass296.23
IUPAC Name2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-pentan-3-ylamino]ethanol
SMILESCCNc1nc(N(C)C)nc(N(CCO)C(CC)CC)n1
InChIInChI=1S/C14H28N6O/c1-6-11(7-2)20(9-10-21)14-17-12(15-8-3)16-13(18-14)19(4)5/h11,21H,6-10H2,1-5H3,(H,15,16,17,18)
InChIKeySLYAYEWJZQISHC-UHFFFAOYSA-N
XLogP1.36
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-ethyl-2-N,4-N,4-N-trimethyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine
CID 80792076
2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]ethanol
CID 80796567
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-pentan-3-ylamino]ethanol
CID 80810701
2-[[2-(dimethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 64829120
2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80780226
6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol
CID 107855279
4-N-[3-(dimethylamino)propyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80776969
1-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropan-2-ol
CID 80848223
6-(2,2-dimethylhydrazinyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 83027111
2-N-(cyclopropylmethyl)-6-N-ethyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80797993
2-[[4-(dimethylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 67172901
3-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol
CID 106179421

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-pentan-3-ylamino]ethanol (CID 80788672) is 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-pentan-3-ylamino]ethanol is CCNc1nc(N(C)C)nc(N(CCO)C(CC)CC)n1.
What is the InChIKey of 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-pentan-3-ylamino]ethanol?
The InChIKey is SLYAYEWJZQISHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6O/c1-6-11(7-2)20(9-10-21)14-17-12(15-8-3)16-13(18-14)19(4)5/h11,21H,6-10H2,1-5H3,(H,15,16,17,18).
What are the key properties of 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-pentan-3-ylamino]ethanol?
2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-pentan-3-ylamino]ethanol has a molecular weight of 296.42 g/mol, XLogP of 1.36, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-pentan-3-ylamino]ethanol is sourced from PubChem (CID 80788672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).