2-[cyclobutyl(5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol

C14H21N3O — CID 102675231

IUPAC2-[cyclobutyl(5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol
SMILESOCCN(c1ncnc2c1CCCC2)C1CCC1
InChIInChI=1S/C14H21N3O/c18-9-8-17(11-4-3-5-11)14-12-6-1-2-7-13(12)15-10-16-14/h10-11,18H,1-9H2
InChIKeyZBYRXQKPQWLEEF-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.71
Rot. Bonds4

About 2-[cyclobutyl(5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol

2-[cyclobutyl(5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol (PubChem CID 102675231) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[cyclobutyl(5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl(5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol
PubChem CID102675231
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[cyclobutyl(5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol
SMILESOCCN(c1ncnc2c1CCCC2)C1CCC1
InChIInChI=1S/C14H21N3O/c18-9-8-17(11-4-3-5-11)14-12-6-1-2-7-13(12)15-10-16-14/h10-11,18H,1-9H2
InChIKeyZBYRXQKPQWLEEF-UHFFFAOYSA-N
XLogP1.71
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[cyclobutyl(5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol with MolForge

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Related Compounds

N-(2-bromoethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 80667019
N'-cyclobutyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 102874680
N-(2-bromoethyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 80668669
N'-cycloheptyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine
CID 62833493
2-[cyclopropyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetic acid
CID 62832412
2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(propyl)amino]ethanol
CID 62832633
2-[(5-amino-6-chloropyrimidin-4-yl)-cyclobutylamino]ethanol
CID 102859630
2-[(6-chloro-5-ethylpyrimidin-4-yl)-cyclobutylamino]ethanol
CID 102865911
2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2-methoxyethyl)amino]ethanol
CID 115672547
2-[cyclohexyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810290
2-[cyclopentyl(thieno[3,2-d]pyrimidin-4-yl)amino]ethanol
CID 54999108
2-[cyclohexyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 54999057

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl(5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol?
The IUPAC name of 2-[cyclobutyl(5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol (CID 102675231) is 2-[cyclobutyl(5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl(5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol?
The canonical SMILES for 2-[cyclobutyl(5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol is OCCN(c1ncnc2c1CCCC2)C1CCC1.
What is the InChIKey of 2-[cyclobutyl(5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol?
The InChIKey is ZBYRXQKPQWLEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c18-9-8-17(11-4-3-5-11)14-12-6-1-2-7-13(12)15-10-16-14/h10-11,18H,1-9H2.
What are the key properties of 2-[cyclobutyl(5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol?
2-[cyclobutyl(5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol has a molecular weight of 247.34 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl(5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol is sourced from PubChem (CID 102675231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).