2-[(6-chloro-5-ethylpyrimidin-4-yl)-cyclobutylamino]ethanol

C12H18ClN3O — CID 102865911

IUPAC2-[(6-chloro-5-ethylpyrimidin-4-yl)-cyclobutylamino]ethanol
SMILESCCc1c(Cl)ncnc1N(CCO)C1CCC1
InChIInChI=1S/C12H18ClN3O/c1-2-10-11(13)14-8-15-12(10)16(6-7-17)9-4-3-5-9/h8-9,17H,2-7H2,1H3
InChIKeyMPMNPBOCHUTHDF-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.04
Rot. Bonds5

About 2-[(6-chloro-5-ethylpyrimidin-4-yl)-cyclobutylamino]ethanol

2-[(6-chloro-5-ethylpyrimidin-4-yl)-cyclobutylamino]ethanol (PubChem CID 102865911) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-[(6-chloro-5-ethylpyrimidin-4-yl)-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[(6-chloro-5-ethylpyrimidin-4-yl)-cyclobutylamino]ethanol
PubChem CID102865911
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-[(6-chloro-5-ethylpyrimidin-4-yl)-cyclobutylamino]ethanol
SMILESCCc1c(Cl)ncnc1N(CCO)C1CCC1
InChIInChI=1S/C12H18ClN3O/c1-2-10-11(13)14-8-15-12(10)16(6-7-17)9-4-3-5-9/h8-9,17H,2-7H2,1H3
InChIKeyMPMNPBOCHUTHDF-UHFFFAOYSA-N
XLogP2.04
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(6-chloro-5-ethylpyrimidin-4-yl)-cyclobutylamino]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

2-[(5-amino-6-chloropyrimidin-4-yl)-cyclobutylamino]ethanol
CID 102859630
2-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]ethanol
CID 80810039
3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102875507
6-chloro-N-cyclohexyl-N-ethyl-5-propylpyrimidin-4-amine
CID 63736107
2-[cyclopentyl-(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanol
CID 80904987
2-[(6-chloro-5-propylpyrimidin-4-yl)-cyclopentylamino]acetamide
CID 63730164
4-N-cyclopentyl-5-ethyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 80854897
2-[cyclobutyl(5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol
CID 102675231
3-[(6-chloro-5-ethylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
CID 63729486
2-[cyclohexyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810290
6-chloro-N-cyclohexyl-N-methyl-5-propylpyrimidin-4-amine
CID 63735945
2-[cyclobutyl-(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]ethanol
CID 102875852

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-5-ethylpyrimidin-4-yl)-cyclobutylamino]ethanol?
The IUPAC name of 2-[(6-chloro-5-ethylpyrimidin-4-yl)-cyclobutylamino]ethanol (CID 102865911) is 2-[(6-chloro-5-ethylpyrimidin-4-yl)-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[(6-chloro-5-ethylpyrimidin-4-yl)-cyclobutylamino]ethanol?
The canonical SMILES for 2-[(6-chloro-5-ethylpyrimidin-4-yl)-cyclobutylamino]ethanol is CCc1c(Cl)ncnc1N(CCO)C1CCC1.
What is the InChIKey of 2-[(6-chloro-5-ethylpyrimidin-4-yl)-cyclobutylamino]ethanol?
The InChIKey is MPMNPBOCHUTHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-2-10-11(13)14-8-15-12(10)16(6-7-17)9-4-3-5-9/h8-9,17H,2-7H2,1H3.
What are the key properties of 2-[(6-chloro-5-ethylpyrimidin-4-yl)-cyclobutylamino]ethanol?
2-[(6-chloro-5-ethylpyrimidin-4-yl)-cyclobutylamino]ethanol has a molecular weight of 255.75 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-ethylpyrimidin-4-yl)-cyclobutylamino]ethanol is sourced from PubChem (CID 102865911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).