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

C12H19N3O — CID 62832633

IUPAC2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(propyl)amino]ethanol
SMILESCCCN(CCO)c1ncnc2c1CCC2
InChIInChI=1S/C12H19N3O/c1-2-6-15(7-8-16)12-10-4-3-5-11(10)13-9-14-12/h9,16H,2-8H2,1H3
InChIKeyQACSCPMFXKEADF-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.17
Rot. Bonds5

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

2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(propyl)amino]ethanol (PubChem CID 62832633) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(propyl)amino]ethanol.

Molecular Properties

Compound Name2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(propyl)amino]ethanol
PubChem CID62832633
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(propyl)amino]ethanol
SMILESCCCN(CCO)c1ncnc2c1CCC2
InChIInChI=1S/C12H19N3O/c1-2-6-15(7-8-16)12-10-4-3-5-11(10)13-9-14-12/h9,16H,2-8H2,1H3
InChIKeyQACSCPMFXKEADF-UHFFFAOYSA-N
XLogP1.17
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(propyl)amino]ethanol?
The IUPAC name of 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(propyl)amino]ethanol (CID 62832633) is 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(propyl)amino]ethanol.
What is the SMILES notation for 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(propyl)amino]ethanol?
The canonical SMILES for 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(propyl)amino]ethanol is CCCN(CCO)c1ncnc2c1CCC2.
What is the InChIKey of 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(propyl)amino]ethanol?
The InChIKey is QACSCPMFXKEADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-6-15(7-8-16)12-10-4-3-5-11(10)13-9-14-12/h9,16H,2-8H2,1H3.
What are the key properties of 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(propyl)amino]ethanol?
2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(propyl)amino]ethanol has a molecular weight of 221.30 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(propyl)amino]ethanol is sourced from PubChem (CID 62832633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).