2-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine

C9H11N3 — CID 54126427

IUPAC2-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCC(C)c1ncc2cc[nH]c2n1
InChIInChI=1S/C9H11N3/c1-6(2)8-11-5-7-3-4-10-9(7)12-8/h3-6H,1-2H3,(H,10,11,12)
InChIKeyNRGSIZCSAPERDJ-UHFFFAOYSA-N
MW161.21 g/mol
LogP2.08
Rot. Bonds1

About 2-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine

2-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 54126427) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 2-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID54126427
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name2-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCC(C)c1ncc2cc[nH]c2n1
InChIInChI=1S/C9H11N3/c1-6(2)8-11-5-7-3-4-10-9(7)12-8/h3-6H,1-2H3,(H,10,11,12)
InChIKeyNRGSIZCSAPERDJ-UHFFFAOYSA-N
XLogP2.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine (CID 54126427) is 2-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine is CC(C)c1ncc2cc[nH]c2n1.
What is the InChIKey of 2-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is NRGSIZCSAPERDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-6(2)8-11-5-7-3-4-10-9(7)12-8/h3-6H,1-2H3,(H,10,11,12).
What are the key properties of 2-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine?
2-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 161.21 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 54126427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).