2-[[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]methyl]cyclopentan-1-ol

C14H26N6O — CID 109398457

IUPAC2-[[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]methyl]cyclopentan-1-ol
SMILESCC(c1nc(N)nc(N(C)C)n1)N(C)CC1CCCC1O
InChIInChI=1S/C14H26N6O/c1-9(20(4)8-10-6-5-7-11(10)21)12-16-13(15)18-14(17-12)19(2)3/h9-11,21H,5-8H2,1-4H3,(H2,15,16,17,18)
InChIKeyOWDZFCHKKMMCHY-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.67
Rot. Bonds5

About 2-[[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]methyl]cyclopentan-1-ol

2-[[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]methyl]cyclopentan-1-ol (PubChem CID 109398457) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]methyl]cyclopentan-1-ol
PubChem CID109398457
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name2-[[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]methyl]cyclopentan-1-ol
SMILESCC(c1nc(N)nc(N(C)C)n1)N(C)CC1CCCC1O
InChIInChI=1S/C14H26N6O/c1-9(20(4)8-10-6-5-7-11(10)21)12-16-13(15)18-14(17-12)19(2)3/h9-11,21H,5-8H2,1-4H3,(H2,15,16,17,18)
InChIKeyOWDZFCHKKMMCHY-UHFFFAOYSA-N
XLogP0.67
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]methyl]cyclopentan-1-ol (CID 109398457) is 2-[[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]methyl]cyclopentan-1-ol is CC(c1nc(N)nc(N(C)C)n1)N(C)CC1CCCC1O.
What is the InChIKey of 2-[[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is OWDZFCHKKMMCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-9(20(4)8-10-6-5-7-11(10)21)12-16-13(15)18-14(17-12)19(2)3/h9-11,21H,5-8H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 2-[[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]methyl]cyclopentan-1-ol?
2-[[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 294.40 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 109398457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).