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

C14H21N3O2 — CID 136941400

IUPAC2-[cyclohexyl(methoxy)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCOC(c1nc2c(c(=O)[nH]1)CNC2)C1CCCCC1
InChIInChI=1S/C14H21N3O2/c1-19-12(9-5-3-2-4-6-9)13-16-11-8-15-7-10(11)14(18)17-13/h9,12,15H,2-8H2,1H3,(H,16,17,18)
InChIKeyHVUODAZMOQLCPH-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.64
Rot. Bonds3

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

2-[cyclohexyl(methoxy)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 136941400) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[cyclohexyl(methoxy)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[cyclohexyl(methoxy)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID136941400
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[cyclohexyl(methoxy)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCOC(c1nc2c(c(=O)[nH]1)CNC2)C1CCCCC1
InChIInChI=1S/C14H21N3O2/c1-19-12(9-5-3-2-4-6-9)13-16-11-8-15-7-10(11)14(18)17-13/h9,12,15H,2-8H2,1H3,(H,16,17,18)
InChIKeyHVUODAZMOQLCPH-UHFFFAOYSA-N
XLogP1.64
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-[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-(1-Methoxy-2-methylpropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941248
2-(2-Methyloxan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941262
2-[Cyclohexyl(ethoxy)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941268
2-(1-Ethoxycycloheptyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941269
2-(1-Methoxycyclopentyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941297
2-(1-Methoxy-4-methylcyclohexyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941300
2-(1-Methoxy-3-methylcyclohexyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941333
2-(1-Ethoxy-4,4-dimethylcyclohexyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941334

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methoxy)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[cyclohexyl(methoxy)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (CID 136941400) is 2-[cyclohexyl(methoxy)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[cyclohexyl(methoxy)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[cyclohexyl(methoxy)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is COC(c1nc2c(c(=O)[nH]1)CNC2)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methoxy)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is HVUODAZMOQLCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-12(9-5-3-2-4-6-9)13-16-11-8-15-7-10(11)14(18)17-13/h9,12,15H,2-8H2,1H3,(H,16,17,18).
What are the key properties of 2-[cyclohexyl(methoxy)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
2-[cyclohexyl(methoxy)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 263.34 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methoxy)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136941400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).