2-[(4-ethylcyclohexyl)-(pyrimidin-5-ylmethyl)amino]ethanol

C15H25N3O — CID 100622444

IUPAC2-[(4-ethylcyclohexyl)-(pyrimidin-5-ylmethyl)amino]ethanol
SMILESCCC1CCC(N(CCO)Cc2cncnc2)CC1
InChIInChI=1S/C15H25N3O/c1-2-13-3-5-15(6-4-13)18(7-8-19)11-14-9-16-12-17-10-14/h9-10,12-13,15,19H,2-8,11H2,1H3
InChIKeyWKHAKJMQIHLOMC-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.24
Rot. Bonds6

About 2-[(4-ethylcyclohexyl)-(pyrimidin-5-ylmethyl)amino]ethanol

2-[(4-ethylcyclohexyl)-(pyrimidin-5-ylmethyl)amino]ethanol (PubChem CID 100622444) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[(4-ethylcyclohexyl)-(pyrimidin-5-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-ethylcyclohexyl)-(pyrimidin-5-ylmethyl)amino]ethanol
PubChem CID100622444
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[(4-ethylcyclohexyl)-(pyrimidin-5-ylmethyl)amino]ethanol
SMILESCCC1CCC(N(CCO)Cc2cncnc2)CC1
InChIInChI=1S/C15H25N3O/c1-2-13-3-5-15(6-4-13)18(7-8-19)11-14-9-16-12-17-10-14/h9-10,12-13,15,19H,2-8,11H2,1H3
InChIKeyWKHAKJMQIHLOMC-UHFFFAOYSA-N
XLogP2.24
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylcyclohexyl)-(pyrimidin-5-ylmethyl)amino]ethanol?
The IUPAC name of 2-[(4-ethylcyclohexyl)-(pyrimidin-5-ylmethyl)amino]ethanol (CID 100622444) is 2-[(4-ethylcyclohexyl)-(pyrimidin-5-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[(4-ethylcyclohexyl)-(pyrimidin-5-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[(4-ethylcyclohexyl)-(pyrimidin-5-ylmethyl)amino]ethanol is CCC1CCC(N(CCO)Cc2cncnc2)CC1.
What is the InChIKey of 2-[(4-ethylcyclohexyl)-(pyrimidin-5-ylmethyl)amino]ethanol?
The InChIKey is WKHAKJMQIHLOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-13-3-5-15(6-4-13)18(7-8-19)11-14-9-16-12-17-10-14/h9-10,12-13,15,19H,2-8,11H2,1H3.
What are the key properties of 2-[(4-ethylcyclohexyl)-(pyrimidin-5-ylmethyl)amino]ethanol?
2-[(4-ethylcyclohexyl)-(pyrimidin-5-ylmethyl)amino]ethanol has a molecular weight of 263.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylcyclohexyl)-(pyrimidin-5-ylmethyl)amino]ethanol is sourced from PubChem (CID 100622444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).