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

C11H15N3O2 — CID 136941326

IUPAC2-(2-methyloxolan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCC1(c2nc3c(c(=O)[nH]2)CNC3)CCCO1
InChIInChI=1S/C11H15N3O2/c1-11(3-2-4-16-11)10-13-8-6-12-5-7(8)9(15)14-10/h12H,2-6H2,1H3,(H,13,14,15)
InChIKeyMRDOGPJKHRXILJ-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.40
Rot. Bonds1

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

2-(2-methyloxolan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 136941326) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(2-methyloxolan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-methyloxolan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID136941326
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-(2-methyloxolan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCC1(c2nc3c(c(=O)[nH]2)CNC3)CCCO1
InChIInChI=1S/C11H15N3O2/c1-11(3-2-4-16-11)10-13-8-6-12-5-7(8)9(15)14-10/h12H,2-6H2,1H3,(H,13,14,15)
InChIKeyMRDOGPJKHRXILJ-UHFFFAOYSA-N
XLogP0.40
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 104189929
4,5-dimethyl-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 136297981
4-(aminomethyl)-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 136298078
4-(methylaminomethyl)-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 136298079
4-(ethylaminomethyl)-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 136298080
2-(2-methyloxolan-2-yl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136298081
2-(2-methyloxolan-2-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136298083
4-[(tert-butylamino)methyl]-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 136298085
2-(2-methyloxolan-2-yl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
CID 136298086
4-[(2-methoxyethylamino)methyl]-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 136298087
5-(aminomethyl)-4-methyl-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 136314598
2-(2-methyloxolan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941213

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxolan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(2-methyloxolan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (CID 136941326) is 2-(2-methyloxolan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-methyloxolan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-methyloxolan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is CC1(c2nc3c(c(=O)[nH]2)CNC3)CCCO1.
What is the InChIKey of 2-(2-methyloxolan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is MRDOGPJKHRXILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-11(3-2-4-16-11)10-13-8-6-12-5-7(8)9(15)14-10/h12H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 2-(2-methyloxolan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
2-(2-methyloxolan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 221.26 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxolan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136941326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).