1-(cyclohexylamino)-2-(pyrimidin-4-ylamino)ethanol

C12H20N4O — CID 69126945

IUPAC1-(cyclohexylamino)-2-(pyrimidin-4-ylamino)ethanol
SMILESOC(CNc1ccncn1)NC1CCCCC1
InChIInChI=1S/C12H20N4O/c17-12(16-10-4-2-1-3-5-10)8-14-11-6-7-13-9-15-11/h6-7,9-10,12,16-17H,1-5,8H2,(H,13,14,15)
InChIKeyIGOKNBSVAFALEE-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.13
Rot. Bonds5

About 1-(cyclohexylamino)-2-(pyrimidin-4-ylamino)ethanol

1-(cyclohexylamino)-2-(pyrimidin-4-ylamino)ethanol (PubChem CID 69126945) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(cyclohexylamino)-2-(pyrimidin-4-ylamino)ethanol.

Molecular Properties

Compound Name1-(cyclohexylamino)-2-(pyrimidin-4-ylamino)ethanol
PubChem CID69126945
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-(cyclohexylamino)-2-(pyrimidin-4-ylamino)ethanol
SMILESOC(CNc1ccncn1)NC1CCCCC1
InChIInChI=1S/C12H20N4O/c17-12(16-10-4-2-1-3-5-10)8-14-11-6-7-13-9-15-11/h6-7,9-10,12,16-17H,1-5,8H2,(H,13,14,15)
InChIKeyIGOKNBSVAFALEE-UHFFFAOYSA-N
XLogP1.13
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylamino)-2-(pyrimidin-4-ylamino)ethanol?
The IUPAC name of 1-(cyclohexylamino)-2-(pyrimidin-4-ylamino)ethanol (CID 69126945) is 1-(cyclohexylamino)-2-(pyrimidin-4-ylamino)ethanol.
What is the SMILES notation for 1-(cyclohexylamino)-2-(pyrimidin-4-ylamino)ethanol?
The canonical SMILES for 1-(cyclohexylamino)-2-(pyrimidin-4-ylamino)ethanol is OC(CNc1ccncn1)NC1CCCCC1.
What is the InChIKey of 1-(cyclohexylamino)-2-(pyrimidin-4-ylamino)ethanol?
The InChIKey is IGOKNBSVAFALEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c17-12(16-10-4-2-1-3-5-10)8-14-11-6-7-13-9-15-11/h6-7,9-10,12,16-17H,1-5,8H2,(H,13,14,15).
What are the key properties of 1-(cyclohexylamino)-2-(pyrimidin-4-ylamino)ethanol?
1-(cyclohexylamino)-2-(pyrimidin-4-ylamino)ethanol has a molecular weight of 236.32 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylamino)-2-(pyrimidin-4-ylamino)ethanol is sourced from PubChem (CID 69126945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).