2-[cyclohexyl(ethoxy)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one

C15H23N3O2 — CID 136941268

IUPAC2-[cyclohexyl(ethoxy)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCCOC(c1nc2c(c(=O)[nH]1)CNC2)C1CCCCC1
InChIInChI=1S/C15H23N3O2/c1-2-20-13(10-6-4-3-5-7-10)14-17-12-9-16-8-11(12)15(19)18-14/h10,13,16H,2-9H2,1H3,(H,17,18,19)
InChIKeyJJHXQESOPBTVSJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.03
Rot. Bonds4

About 2-[cyclohexyl(ethoxy)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one

2-[cyclohexyl(ethoxy)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 136941268) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[cyclohexyl(ethoxy)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[cyclohexyl(ethoxy)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID136941268
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[cyclohexyl(ethoxy)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCCOC(c1nc2c(c(=O)[nH]1)CNC2)C1CCCCC1
InChIInChI=1S/C15H23N3O2/c1-2-20-13(10-6-4-3-5-7-10)14-17-12-9-16-8-11(12)15(19)18-14/h10,13,16H,2-9H2,1H3,(H,17,18,19)
InChIKeyJJHXQESOPBTVSJ-UHFFFAOYSA-N
XLogP2.03
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclohexyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963825
5-(aminomethyl)-2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 116782625
5-(aminomethyl)-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 116782635
2-tert-butyl-4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 136303260
2-tert-butyl-4-methyl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 136722497
2-tert-butyl-4-methyl-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 136722498
2-tert-butyl-4-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 136722499
2-tert-butyl-4-methyl-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 136722500
2-[cyclohexyl(methoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941133
2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941196
2-(2-Methyloxan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941262
2-(1-Ethoxycycloheptyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941269

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(ethoxy)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[cyclohexyl(ethoxy)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (CID 136941268) is 2-[cyclohexyl(ethoxy)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[cyclohexyl(ethoxy)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[cyclohexyl(ethoxy)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is CCOC(c1nc2c(c(=O)[nH]1)CNC2)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(ethoxy)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is JJHXQESOPBTVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-20-13(10-6-4-3-5-7-10)14-17-12-9-16-8-11(12)15(19)18-14/h10,13,16H,2-9H2,1H3,(H,17,18,19).
What are the key properties of 2-[cyclohexyl(ethoxy)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
2-[cyclohexyl(ethoxy)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 277.37 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(ethoxy)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136941268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).