4-methyl-7-(oxolan-2-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine

C12H17N3O — CID 141100116

IUPAC4-methyl-7-(oxolan-2-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine
SMILESCc1ncnc2c1CCN2CC1CCCO1
InChIInChI=1S/C12H17N3O/c1-9-11-4-5-15(12(11)14-8-13-9)7-10-3-2-6-16-10/h8,10H,2-7H2,1H3
InChIKeyAGSLAXJWFPIJEC-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.33
Rot. Bonds2

About 4-methyl-7-(oxolan-2-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine

4-methyl-7-(oxolan-2-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine (PubChem CID 141100116) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-methyl-7-(oxolan-2-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-methyl-7-(oxolan-2-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine
PubChem CID141100116
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name4-methyl-7-(oxolan-2-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine
SMILESCc1ncnc2c1CCN2CC1CCCO1
InChIInChI=1S/C12H17N3O/c1-9-11-4-5-15(12(11)14-8-13-9)7-10-3-2-6-16-10/h8,10H,2-7H2,1H3
InChIKeyAGSLAXJWFPIJEC-UHFFFAOYSA-N
XLogP1.33
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(3-methylpyrazin-2-yl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97139206
1-methyl-3-(oxolan-2-ylmethyl)imidazolidin-2-one
CID 117026456
4-(5,6-dimethylpyrimidin-4-yl)-N-[2-(oxan-2-yl)ethyl]piperazine-1-carboxamide
CID 121495825
5-methyl-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-3-amine
CID 165471860
9-(oxolan-2-ylmethyl)-6-piperazin-1-ylpurine
CID 155941202
2-(oxolan-2-ylmethyl)-3,4-dihydroisoquinolin-1-one
CID 113339957
1-(oxolan-2-ylmethyl)-2,3-dihydroindol-7-amine
CID 114456219
1-(oxolan-2-ylmethyl)pyrrolidin-2-imine
CID 43121893
4-methyl-8-(oxolan-2-ylmethyl)-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 53193780
7-(oxolan-2-ylmethyl)-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 84818438
2-[[(2R)-oxolan-2-yl]methyl]-9-thieno[3,2-d]pyrimidin-4-yl-2,9-diazaspiro[5.5]undecan-3-one
CID 97117161
6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one
CID 126857529

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(oxolan-2-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-methyl-7-(oxolan-2-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine (CID 141100116) is 4-methyl-7-(oxolan-2-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-methyl-7-(oxolan-2-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-methyl-7-(oxolan-2-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine is Cc1ncnc2c1CCN2CC1CCCO1.
What is the InChIKey of 4-methyl-7-(oxolan-2-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The InChIKey is AGSLAXJWFPIJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-11-4-5-15(12(11)14-8-13-9)7-10-3-2-6-16-10/h8,10H,2-7H2,1H3.
What are the key properties of 4-methyl-7-(oxolan-2-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine?
4-methyl-7-(oxolan-2-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine has a molecular weight of 219.29 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(oxolan-2-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 141100116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).