2,4-di(propan-2-yl)-5H-pyrrolo[2,3-d]pyrimidine

C12H17N3 — CID 168755749

IUPAC2,4-di(propan-2-yl)-5H-pyrrolo[2,3-d]pyrimidine
SMILESCC(C)c1nc2c(c(C(C)C)n1)CC=N2
InChIInChI=1S/C12H17N3/c1-7(2)10-9-5-6-13-12(9)15-11(14-10)8(3)4/h6-8H,5H2,1-4H3
InChIKeyGKNCRNOZLLGQNF-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.98
Rot. Bonds2

About 2,4-di(propan-2-yl)-5H-pyrrolo[2,3-d]pyrimidine

2,4-di(propan-2-yl)-5H-pyrrolo[2,3-d]pyrimidine (PubChem CID 168755749) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2,4-di(propan-2-yl)-5H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,4-di(propan-2-yl)-5H-pyrrolo[2,3-d]pyrimidine
PubChem CID168755749
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2,4-di(propan-2-yl)-5H-pyrrolo[2,3-d]pyrimidine
SMILESCC(C)c1nc2c(c(C(C)C)n1)CC=N2
InChIInChI=1S/C12H17N3/c1-7(2)10-9-5-6-13-12(9)15-11(14-10)8(3)4/h6-8H,5H2,1-4H3
InChIKeyGKNCRNOZLLGQNF-UHFFFAOYSA-N
XLogP2.98
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-di(propan-2-yl)-5H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2,4-di(propan-2-yl)-5H-pyrrolo[2,3-d]pyrimidine (CID 168755749) is 2,4-di(propan-2-yl)-5H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2,4-di(propan-2-yl)-5H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2,4-di(propan-2-yl)-5H-pyrrolo[2,3-d]pyrimidine is CC(C)c1nc2c(c(C(C)C)n1)CC=N2.
What is the InChIKey of 2,4-di(propan-2-yl)-5H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is GKNCRNOZLLGQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-7(2)10-9-5-6-13-12(9)15-11(14-10)8(3)4/h6-8H,5H2,1-4H3.
What are the key properties of 2,4-di(propan-2-yl)-5H-pyrrolo[2,3-d]pyrimidine?
2,4-di(propan-2-yl)-5H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 203.29 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(propan-2-yl)-5H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 168755749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).