3,7-dimethyl-1-(2-methylpropyl)-2H-pyrrolo[3,4-d]pyrimidine

C12H19N3 — CID 91307374

IUPAC3,7-dimethyl-1-(2-methylpropyl)-2H-pyrrolo[3,4-d]pyrimidine
SMILESCC1=C2C(=CN(C)CN2CC(C)C)C=N1
InChIInChI=1S/C12H19N3/c1-9(2)6-15-8-14(4)7-11-5-13-10(3)12(11)15/h5,7,9H,6,8H2,1-4H3
InChIKeyPJOOARCRBNNHME-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.05
Rot. Bonds2

About 3,7-dimethyl-1-(2-methylpropyl)-2H-pyrrolo[3,4-d]pyrimidine

3,7-dimethyl-1-(2-methylpropyl)-2H-pyrrolo[3,4-d]pyrimidine (PubChem CID 91307374) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 3,7-dimethyl-1-(2-methylpropyl)-2H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name3,7-dimethyl-1-(2-methylpropyl)-2H-pyrrolo[3,4-d]pyrimidine
PubChem CID91307374
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name3,7-dimethyl-1-(2-methylpropyl)-2H-pyrrolo[3,4-d]pyrimidine
SMILESCC1=C2C(=CN(C)CN2CC(C)C)C=N1
InChIInChI=1S/C12H19N3/c1-9(2)6-15-8-14(4)7-11-5-13-10(3)12(11)15/h5,7,9H,6,8H2,1-4H3
InChIKeyPJOOARCRBNNHME-UHFFFAOYSA-N
XLogP2.05
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1-(2-methylpropyl)-2H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 3,7-dimethyl-1-(2-methylpropyl)-2H-pyrrolo[3,4-d]pyrimidine (CID 91307374) is 3,7-dimethyl-1-(2-methylpropyl)-2H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 3,7-dimethyl-1-(2-methylpropyl)-2H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 3,7-dimethyl-1-(2-methylpropyl)-2H-pyrrolo[3,4-d]pyrimidine is CC1=C2C(=CN(C)CN2CC(C)C)C=N1.
What is the InChIKey of 3,7-dimethyl-1-(2-methylpropyl)-2H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is PJOOARCRBNNHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-9(2)6-15-8-14(4)7-11-5-13-10(3)12(11)15/h5,7,9H,6,8H2,1-4H3.
What are the key properties of 3,7-dimethyl-1-(2-methylpropyl)-2H-pyrrolo[3,4-d]pyrimidine?
3,7-dimethyl-1-(2-methylpropyl)-2H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 205.30 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1-(2-methylpropyl)-2H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 91307374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).