2-[butyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]ethanol

C13H21N3O — CID 55121316

IUPAC2-[butyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]ethanol
SMILESCCCCN(CCO)c1ncnc2c1CCC2
InChIInChI=1S/C13H21N3O/c1-2-3-7-16(8-9-17)13-11-5-4-6-12(11)14-10-15-13/h10,17H,2-9H2,1H3
InChIKeySIVGPRWQJTYSLH-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.56
Rot. Bonds6

About 2-[butyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]ethanol

2-[butyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]ethanol (PubChem CID 55121316) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[butyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[butyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]ethanol
PubChem CID55121316
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[butyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]ethanol
SMILESCCCCN(CCO)c1ncnc2c1CCC2
InChIInChI=1S/C13H21N3O/c1-2-3-7-16(8-9-17)13-11-5-4-6-12(11)14-10-15-13/h10,17H,2-9H2,1H3
InChIKeySIVGPRWQJTYSLH-UHFFFAOYSA-N
XLogP1.56
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[butyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]ethanol (CID 55121316) is 2-[butyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[butyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[butyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]ethanol is CCCCN(CCO)c1ncnc2c1CCC2.
What is the InChIKey of 2-[butyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]ethanol?
The InChIKey is SIVGPRWQJTYSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-3-7-16(8-9-17)13-11-5-4-6-12(11)14-10-15-13/h10,17H,2-9H2,1H3.
What are the key properties of 2-[butyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]ethanol?
2-[butyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]ethanol has a molecular weight of 235.33 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 55121316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).