2-(1-ethoxycyclohexyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one

C14H21N3O2 — CID 136941369

IUPAC2-(1-ethoxycyclohexyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCCOC1(c2nc3c(c(=O)[nH]2)CNC3)CCCCC1
InChIInChI=1S/C14H21N3O2/c1-2-19-14(6-4-3-5-7-14)13-16-11-9-15-8-10(11)12(18)17-13/h15H,2-9H2,1H3,(H,16,17,18)
InChIKeyZIAMJKCWDBHISZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.57
Rot. Bonds3

About 2-(1-ethoxycyclohexyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one

2-(1-ethoxycyclohexyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 136941369) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(1-ethoxycyclohexyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-ethoxycyclohexyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID136941369
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-(1-ethoxycyclohexyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCCOC1(c2nc3c(c(=O)[nH]2)CNC3)CCCCC1
InChIInChI=1S/C14H21N3O2/c1-2-19-14(6-4-3-5-7-14)13-16-11-9-15-8-10(11)12(18)17-13/h15H,2-9H2,1H3,(H,16,17,18)
InChIKeyZIAMJKCWDBHISZ-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
CID 116782628
2-(1-ethoxycyclopentyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941032
2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941136
2-(1-methoxycyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941161
2-(4-Ethoxyoxan-4-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941247
2-(2-Methyloxan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941262
2-(3-Ethoxypentan-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941266
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-(2-Ethoxypropan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941270
2-(1-Methoxycyclopentyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941297
2-(4-Methoxyoxan-4-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941299

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycyclohexyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(1-ethoxycyclohexyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (CID 136941369) is 2-(1-ethoxycyclohexyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-ethoxycyclohexyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-ethoxycyclohexyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is CCOC1(c2nc3c(c(=O)[nH]2)CNC3)CCCCC1.
What is the InChIKey of 2-(1-ethoxycyclohexyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is ZIAMJKCWDBHISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-19-14(6-4-3-5-7-14)13-16-11-9-15-8-10(11)12(18)17-13/h15H,2-9H2,1H3,(H,16,17,18).
What are the key properties of 2-(1-ethoxycyclohexyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
2-(1-ethoxycyclohexyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 263.34 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycyclohexyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136941369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).