7a-methyl-2,4-di(propan-2-yl)-3,5-dihydropyrrolo[3,2-d]pyrimidine

C13H21N3 — CID 118563450

IUPAC7a-methyl-2,4-di(propan-2-yl)-3,5-dihydropyrrolo[3,2-d]pyrimidine
SMILESCC(C)C1=NC2(C)C=CNC2=C(C(C)C)N1
InChIInChI=1S/C13H21N3/c1-8(2)10-11-13(5,6-7-14-11)16-12(15-10)9(3)4/h6-9,14H,1-5H3,(H,15,16)
InChIKeyRUFIDOADASHVQS-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.39
Rot. Bonds2

About 7a-methyl-2,4-di(propan-2-yl)-3,5-dihydropyrrolo[3,2-d]pyrimidine

7a-methyl-2,4-di(propan-2-yl)-3,5-dihydropyrrolo[3,2-d]pyrimidine (PubChem CID 118563450) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 7a-methyl-2,4-di(propan-2-yl)-3,5-dihydropyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name7a-methyl-2,4-di(propan-2-yl)-3,5-dihydropyrrolo[3,2-d]pyrimidine
PubChem CID118563450
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name7a-methyl-2,4-di(propan-2-yl)-3,5-dihydropyrrolo[3,2-d]pyrimidine
SMILESCC(C)C1=NC2(C)C=CNC2=C(C(C)C)N1
InChIInChI=1S/C13H21N3/c1-8(2)10-11-13(5,6-7-14-11)16-12(15-10)9(3)4/h6-9,14H,1-5H3,(H,15,16)
InChIKeyRUFIDOADASHVQS-UHFFFAOYSA-N
XLogP2.39
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7a-methyl-2,4-di(propan-2-yl)-3,5-dihydropyrrolo[3,2-d]pyrimidine?
The IUPAC name of 7a-methyl-2,4-di(propan-2-yl)-3,5-dihydropyrrolo[3,2-d]pyrimidine (CID 118563450) is 7a-methyl-2,4-di(propan-2-yl)-3,5-dihydropyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 7a-methyl-2,4-di(propan-2-yl)-3,5-dihydropyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 7a-methyl-2,4-di(propan-2-yl)-3,5-dihydropyrrolo[3,2-d]pyrimidine is CC(C)C1=NC2(C)C=CNC2=C(C(C)C)N1.
What is the InChIKey of 7a-methyl-2,4-di(propan-2-yl)-3,5-dihydropyrrolo[3,2-d]pyrimidine?
The InChIKey is RUFIDOADASHVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-8(2)10-11-13(5,6-7-14-11)16-12(15-10)9(3)4/h6-9,14H,1-5H3,(H,15,16).
What are the key properties of 7a-methyl-2,4-di(propan-2-yl)-3,5-dihydropyrrolo[3,2-d]pyrimidine?
7a-methyl-2,4-di(propan-2-yl)-3,5-dihydropyrrolo[3,2-d]pyrimidine has a molecular weight of 219.33 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-2,4-di(propan-2-yl)-3,5-dihydropyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 118563450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).