2-[[6-[4-(methylamino)cyclohexyl]oxypyrimidin-4-yl]amino]ethanol

C13H22N4O2 — CID 155237583

IUPAC2-[[6-[4-(methylamino)cyclohexyl]oxypyrimidin-4-yl]amino]ethanol
SMILESCNC1CCC(Oc2cc(NCCO)ncn2)CC1
InChIInChI=1S/C13H22N4O2/c1-14-10-2-4-11(5-3-10)19-13-8-12(15-6-7-18)16-9-17-13/h8-11,14,18H,2-7H2,1H3,(H,15,16,17)
InChIKeyZHRPKDPTGUIYLY-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.79
Rot. Bonds6

About 2-[[6-[4-(methylamino)cyclohexyl]oxypyrimidin-4-yl]amino]ethanol

2-[[6-[4-(methylamino)cyclohexyl]oxypyrimidin-4-yl]amino]ethanol (PubChem CID 155237583) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[[6-[4-(methylamino)cyclohexyl]oxypyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-[4-(methylamino)cyclohexyl]oxypyrimidin-4-yl]amino]ethanol
PubChem CID155237583
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-[[6-[4-(methylamino)cyclohexyl]oxypyrimidin-4-yl]amino]ethanol
SMILESCNC1CCC(Oc2cc(NCCO)ncn2)CC1
InChIInChI=1S/C13H22N4O2/c1-14-10-2-4-11(5-3-10)19-13-8-12(15-6-7-18)16-9-17-13/h8-11,14,18H,2-7H2,1H3,(H,15,16,17)
InChIKeyZHRPKDPTGUIYLY-UHFFFAOYSA-N
XLogP0.79
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[6-[4-(methylamino)cyclohexyl]oxypyrimidin-4-yl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[4-(methylamino)cyclohexyl]oxypyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[6-[4-(methylamino)cyclohexyl]oxypyrimidin-4-yl]amino]ethanol (CID 155237583) is 2-[[6-[4-(methylamino)cyclohexyl]oxypyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-[4-(methylamino)cyclohexyl]oxypyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[6-[4-(methylamino)cyclohexyl]oxypyrimidin-4-yl]amino]ethanol is CNC1CCC(Oc2cc(NCCO)ncn2)CC1.
What is the InChIKey of 2-[[6-[4-(methylamino)cyclohexyl]oxypyrimidin-4-yl]amino]ethanol?
The InChIKey is ZHRPKDPTGUIYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-14-10-2-4-11(5-3-10)19-13-8-12(15-6-7-18)16-9-17-13/h8-11,14,18H,2-7H2,1H3,(H,15,16,17).
What are the key properties of 2-[[6-[4-(methylamino)cyclohexyl]oxypyrimidin-4-yl]amino]ethanol?
2-[[6-[4-(methylamino)cyclohexyl]oxypyrimidin-4-yl]amino]ethanol has a molecular weight of 266.34 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[4-(methylamino)cyclohexyl]oxypyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 155237583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).