2-[(5-amino-6-chloropyrimidin-4-yl)-cyclobutylamino]ethanol

C10H15ClN4O — CID 102859630

IUPAC2-[(5-amino-6-chloropyrimidin-4-yl)-cyclobutylamino]ethanol
SMILESNc1c(Cl)ncnc1N(CCO)C1CCC1
InChIInChI=1S/C10H15ClN4O/c11-9-8(12)10(14-6-13-9)15(4-5-16)7-2-1-3-7/h6-7,16H,1-5,12H2
InChIKeyILRGNSKUMXAFEK-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.06
Rot. Bonds4

About 2-[(5-amino-6-chloropyrimidin-4-yl)-cyclobutylamino]ethanol

2-[(5-amino-6-chloropyrimidin-4-yl)-cyclobutylamino]ethanol (PubChem CID 102859630) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-[(5-amino-6-chloropyrimidin-4-yl)-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-6-chloropyrimidin-4-yl)-cyclobutylamino]ethanol
PubChem CID102859630
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name2-[(5-amino-6-chloropyrimidin-4-yl)-cyclobutylamino]ethanol
SMILESNc1c(Cl)ncnc1N(CCO)C1CCC1
InChIInChI=1S/C10H15ClN4O/c11-9-8(12)10(14-6-13-9)15(4-5-16)7-2-1-3-7/h6-7,16H,1-5,12H2
InChIKeyILRGNSKUMXAFEK-UHFFFAOYSA-N
XLogP1.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-chloro-5-ethylpyrimidin-4-yl)-cyclobutylamino]ethanol
CID 102865911
5-amino-4-[cyclobutyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136827311
2-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]ethanol
CID 80810039
2-[cyclobutyl(5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol
CID 102675231
2-[(5-aminopyrimidin-2-yl)-cyclobutylamino]ethanol
CID 102859565
2-[(7-aminoquinazolin-4-yl)-cyclohexylamino]ethanol
CID 65336641
3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102875507
5-amino-4-[cyclohexyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136979613
2-[cyclobutyl-(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]ethanol
CID 102875852
2-[cyclopentyl-(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanol
CID 80904987
2-[cyclobutyl-(3,6-dichloropyridazin-4-yl)amino]ethanol
CID 102865921
2-[cyclopentyl(thieno[3,2-d]pyrimidin-4-yl)amino]ethanol
CID 54999108

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-chloropyrimidin-4-yl)-cyclobutylamino]ethanol?
The IUPAC name of 2-[(5-amino-6-chloropyrimidin-4-yl)-cyclobutylamino]ethanol (CID 102859630) is 2-[(5-amino-6-chloropyrimidin-4-yl)-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[(5-amino-6-chloropyrimidin-4-yl)-cyclobutylamino]ethanol?
The canonical SMILES for 2-[(5-amino-6-chloropyrimidin-4-yl)-cyclobutylamino]ethanol is Nc1c(Cl)ncnc1N(CCO)C1CCC1.
What is the InChIKey of 2-[(5-amino-6-chloropyrimidin-4-yl)-cyclobutylamino]ethanol?
The InChIKey is ILRGNSKUMXAFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c11-9-8(12)10(14-6-13-9)15(4-5-16)7-2-1-3-7/h6-7,16H,1-5,12H2.
What are the key properties of 2-[(5-amino-6-chloropyrimidin-4-yl)-cyclobutylamino]ethanol?
2-[(5-amino-6-chloropyrimidin-4-yl)-cyclobutylamino]ethanol has a molecular weight of 242.71 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-chloropyrimidin-4-yl)-cyclobutylamino]ethanol is sourced from PubChem (CID 102859630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).