2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol

C14H28N6O — CID 80803356

IUPAC2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol
SMILESCCCNc1nc(NC(CC)(CC)CO)nc(N(C)C)n1
InChIInChI=1S/C14H28N6O/c1-6-9-15-11-16-12(18-13(17-11)20(4)5)19-14(7-2,8-3)10-21/h21H,6-10H2,1-5H3,(H2,15,16,17,18,19)
InChIKeyAMQQIDFEPAGHBC-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.72
Rot. Bonds9

About 2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol

2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol (PubChem CID 80803356) has the molecular formula C14H28N6O and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol
PubChem CID80803356
Molecular FormulaC14H28N6O
Molecular Weight296.42 g/mol
Exact Mass296.23
IUPAC Name2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol
SMILESCCCNc1nc(NC(CC)(CC)CO)nc(N(C)C)n1
InChIInChI=1S/C14H28N6O/c1-6-9-15-11-16-12(18-13(17-11)20(4)5)19-14(7-2,8-3)10-21/h21H,6-10H2,1-5H3,(H2,15,16,17,18,19)
InChIKeyAMQQIDFEPAGHBC-UHFFFAOYSA-N
XLogP1.72
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol (CID 80803356) is 2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol is CCCNc1nc(NC(CC)(CC)CO)nc(N(C)C)n1.
What is the InChIKey of 2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol?
The InChIKey is AMQQIDFEPAGHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6O/c1-6-9-15-11-16-12(18-13(17-11)20(4)5)19-14(7-2,8-3)10-21/h21H,6-10H2,1-5H3,(H2,15,16,17,18,19).
What are the key properties of 2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol?
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol has a molecular weight of 296.42 g/mol, XLogP of 1.72, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol is sourced from PubChem (CID 80803356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).