2-[(2-aminopyrimidin-4-yl)-butylamino]ethanol

C10H18N4O — CID 80808960

IUPAC2-[(2-aminopyrimidin-4-yl)-butylamino]ethanol
SMILESCCCCN(CCO)c1ccnc(N)n1
InChIInChI=1S/C10H18N4O/c1-2-3-6-14(7-8-15)9-4-5-12-10(11)13-9/h4-5,15H,2-3,6-8H2,1H3,(H2,11,12,13)
InChIKeySBEIYTVCHKDWHY-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.66
Rot. Bonds6

About 2-[(2-aminopyrimidin-4-yl)-butylamino]ethanol

2-[(2-aminopyrimidin-4-yl)-butylamino]ethanol (PubChem CID 80808960) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[(2-aminopyrimidin-4-yl)-butylamino]ethanol.

Molecular Properties

Compound Name2-[(2-aminopyrimidin-4-yl)-butylamino]ethanol
PubChem CID80808960
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-[(2-aminopyrimidin-4-yl)-butylamino]ethanol
SMILESCCCCN(CCO)c1ccnc(N)n1
InChIInChI=1S/C10H18N4O/c1-2-3-6-14(7-8-15)9-4-5-12-10(11)13-9/h4-5,15H,2-3,6-8H2,1H3,(H2,11,12,13)
InChIKeySBEIYTVCHKDWHY-UHFFFAOYSA-N
XLogP0.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminopyrimidin-4-yl)-butylamino]ethanol?
The IUPAC name of 2-[(2-aminopyrimidin-4-yl)-butylamino]ethanol (CID 80808960) is 2-[(2-aminopyrimidin-4-yl)-butylamino]ethanol.
What is the SMILES notation for 2-[(2-aminopyrimidin-4-yl)-butylamino]ethanol?
The canonical SMILES for 2-[(2-aminopyrimidin-4-yl)-butylamino]ethanol is CCCCN(CCO)c1ccnc(N)n1.
What is the InChIKey of 2-[(2-aminopyrimidin-4-yl)-butylamino]ethanol?
The InChIKey is SBEIYTVCHKDWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-2-3-6-14(7-8-15)9-4-5-12-10(11)13-9/h4-5,15H,2-3,6-8H2,1H3,(H2,11,12,13).
What are the key properties of 2-[(2-aminopyrimidin-4-yl)-butylamino]ethanol?
2-[(2-aminopyrimidin-4-yl)-butylamino]ethanol has a molecular weight of 210.28 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminopyrimidin-4-yl)-butylamino]ethanol is sourced from PubChem (CID 80808960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).