3-[(2R)-3-ethoxy-2-hydroxypropyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

C12H18N2O3 — CID 99839927

IUPAC3-[(2R)-3-ethoxy-2-hydroxypropyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESCCOC[C@H](O)Cn1cnc2c(c1=O)CCC2
InChIInChI=1S/C12H18N2O3/c1-2-17-7-9(15)6-14-8-13-11-5-3-4-10(11)12(14)16/h8-9,15H,2-7H2,1H3/t9-/m1/s1
InChIKeyBSWRHCKSYVOBDQ-SECBINFHSA-N
MW238.29 g/mol
LogP0.13
Rot. Bonds5

About 3-[(2R)-3-ethoxy-2-hydroxypropyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

3-[(2R)-3-ethoxy-2-hydroxypropyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (PubChem CID 99839927) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[(2R)-3-ethoxy-2-hydroxypropyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2R)-3-ethoxy-2-hydroxypropyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
PubChem CID99839927
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-[(2R)-3-ethoxy-2-hydroxypropyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESCCOC[C@H](O)Cn1cnc2c(c1=O)CCC2
InChIInChI=1S/C12H18N2O3/c1-2-17-7-9(15)6-14-8-13-11-5-3-4-10(11)12(14)16/h8-9,15H,2-7H2,1H3/t9-/m1/s1
InChIKeyBSWRHCKSYVOBDQ-SECBINFHSA-N
XLogP0.13
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-fluoro-2-hydroxypropyl)-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-4-one
CID 165786912
3-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 99824666
3-[(2S)-3-ethoxy-2-hydroxypropyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 99839928
3-(3-ethoxy-2-hydroxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 121520605
3-(2-hydroxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 130847634
3-(2-hydroxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 130943852
3-(3-hydroxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 131026974

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-3-ethoxy-2-hydroxypropyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The IUPAC name of 3-[(2R)-3-ethoxy-2-hydroxypropyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (CID 99839927) is 3-[(2R)-3-ethoxy-2-hydroxypropyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 3-[(2R)-3-ethoxy-2-hydroxypropyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 3-[(2R)-3-ethoxy-2-hydroxypropyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is CCOC[C@H](O)Cn1cnc2c(c1=O)CCC2.
What is the InChIKey of 3-[(2R)-3-ethoxy-2-hydroxypropyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The InChIKey is BSWRHCKSYVOBDQ-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-17-7-9(15)6-14-8-13-11-5-3-4-10(11)12(14)16/h8-9,15H,2-7H2,1H3/t9-/m1/s1.
What are the key properties of 3-[(2R)-3-ethoxy-2-hydroxypropyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
3-[(2R)-3-ethoxy-2-hydroxypropyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one has a molecular weight of 238.29 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-3-ethoxy-2-hydroxypropyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 99839927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).