2-ethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine

C11H17N3 — CID 164923785

IUPAC2-ethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCCc1ncc2c(n1)CN(C(C)C)C2
InChIInChI=1S/C11H17N3/c1-4-11-12-5-9-6-14(8(2)3)7-10(9)13-11/h5,8H,4,6-7H2,1-3H3
InChIKeyBRVGCGZKYFKJCA-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.76
Rot. Bonds2

About 2-ethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine

2-ethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine (PubChem CID 164923785) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-ethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-ethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine
PubChem CID164923785
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-ethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCCc1ncc2c(n1)CN(C(C)C)C2
InChIInChI=1S/C11H17N3/c1-4-11-12-5-9-6-14(8(2)3)7-10(9)13-11/h5,8H,4,6-7H2,1-3H3
InChIKeyBRVGCGZKYFKJCA-UHFFFAOYSA-N
XLogP1.76
TPSA29.02 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 ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-ethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine (CID 164923785) is 2-ethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-ethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-ethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine is CCc1ncc2c(n1)CN(C(C)C)C2.
What is the InChIKey of 2-ethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The InChIKey is BRVGCGZKYFKJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-4-11-12-5-9-6-14(8(2)3)7-10(9)13-11/h5,8H,4,6-7H2,1-3H3.
What are the key properties of 2-ethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
2-ethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine has a molecular weight of 191.28 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 164923785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).