2-[(2,6-dimethylpyrimidin-4-yl)-pentan-3-ylamino]ethanol

C13H23N3O — CID 54999005

IUPAC2-[(2,6-dimethylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1cc(C)nc(C)n1
InChIInChI=1S/C13H23N3O/c1-5-12(6-2)16(7-8-17)13-9-10(3)14-11(4)15-13/h9,12,17H,5-8H2,1-4H3
InChIKeyNUGUTRGUHIUJNT-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.08
Rot. Bonds6

About 2-[(2,6-dimethylpyrimidin-4-yl)-pentan-3-ylamino]ethanol

2-[(2,6-dimethylpyrimidin-4-yl)-pentan-3-ylamino]ethanol (PubChem CID 54999005) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[(2,6-dimethylpyrimidin-4-yl)-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[(2,6-dimethylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
PubChem CID54999005
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[(2,6-dimethylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1cc(C)nc(C)n1
InChIInChI=1S/C13H23N3O/c1-5-12(6-2)16(7-8-17)13-9-10(3)14-11(4)15-13/h9,12,17H,5-8H2,1-4H3
InChIKeyNUGUTRGUHIUJNT-UHFFFAOYSA-N
XLogP2.08
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylpyrimidin-4-yl)-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[(2,6-dimethylpyrimidin-4-yl)-pentan-3-ylamino]ethanol (CID 54999005) is 2-[(2,6-dimethylpyrimidin-4-yl)-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[(2,6-dimethylpyrimidin-4-yl)-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[(2,6-dimethylpyrimidin-4-yl)-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)c1cc(C)nc(C)n1.
What is the InChIKey of 2-[(2,6-dimethylpyrimidin-4-yl)-pentan-3-ylamino]ethanol?
The InChIKey is NUGUTRGUHIUJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-12(6-2)16(7-8-17)13-9-10(3)14-11(4)15-13/h9,12,17H,5-8H2,1-4H3.
What are the key properties of 2-[(2,6-dimethylpyrimidin-4-yl)-pentan-3-ylamino]ethanol?
2-[(2,6-dimethylpyrimidin-4-yl)-pentan-3-ylamino]ethanol has a molecular weight of 237.35 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylpyrimidin-4-yl)-pentan-3-ylamino]ethanol is sourced from PubChem (CID 54999005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).