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

C11H17N3 — CID 90738948

IUPAC3-methyl-1-(2-methylpropyl)-2H-pyrrolo[3,4-d]pyrimidine
SMILESCC(C)CN1CN(C)C=C2C=NC=C21
InChIInChI=1S/C11H17N3/c1-9(2)6-14-8-13(3)7-10-4-12-5-11(10)14/h4-5,7,9H,6,8H2,1-3H3
InChIKeyNJWVYYRSGYYPDS-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.66
Rot. Bonds2

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

3-methyl-1-(2-methylpropyl)-2H-pyrrolo[3,4-d]pyrimidine (PubChem CID 90738948) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpropyl)-2H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name3-methyl-1-(2-methylpropyl)-2H-pyrrolo[3,4-d]pyrimidine
PubChem CID90738948
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name3-methyl-1-(2-methylpropyl)-2H-pyrrolo[3,4-d]pyrimidine
SMILESCC(C)CN1CN(C)C=C2C=NC=C21
InChIInChI=1S/C11H17N3/c1-9(2)6-14-8-13(3)7-10-4-12-5-11(10)14/h4-5,7,9H,6,8H2,1-3H3
InChIKeyNJWVYYRSGYYPDS-UHFFFAOYSA-N
XLogP1.66
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylpropyl)-2H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 3-methyl-1-(2-methylpropyl)-2H-pyrrolo[3,4-d]pyrimidine (CID 90738948) is 3-methyl-1-(2-methylpropyl)-2H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 3-methyl-1-(2-methylpropyl)-2H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 3-methyl-1-(2-methylpropyl)-2H-pyrrolo[3,4-d]pyrimidine is CC(C)CN1CN(C)C=C2C=NC=C21.
What is the InChIKey of 3-methyl-1-(2-methylpropyl)-2H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is NJWVYYRSGYYPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-9(2)6-14-8-13(3)7-10-4-12-5-11(10)14/h4-5,7,9H,6,8H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methylpropyl)-2H-pyrrolo[3,4-d]pyrimidine?
3-methyl-1-(2-methylpropyl)-2H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 191.28 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpropyl)-2H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 90738948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).