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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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).