2,4,6-tri(propan-2-yl)-5H-pyrrolo[2,3-d]pyrimidine

C15H23N3 — CID 165020772

IUPAC2,4,6-tri(propan-2-yl)-5H-pyrrolo[2,3-d]pyrimidine
SMILESCC(C)C1=Nc2nc(C(C)C)nc(C(C)C)c2C1
InChIInChI=1S/C15H23N3/c1-8(2)12-7-11-13(9(3)4)17-14(10(5)6)18-15(11)16-12/h8-10H,7H2,1-6H3
InChIKeyIIDCQHYCVCFUAV-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.01
Rot. Bonds3

About 2,4,6-tri(propan-2-yl)-5H-pyrrolo[2,3-d]pyrimidine

2,4,6-tri(propan-2-yl)-5H-pyrrolo[2,3-d]pyrimidine (PubChem CID 165020772) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2,4,6-tri(propan-2-yl)-5H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,4,6-tri(propan-2-yl)-5H-pyrrolo[2,3-d]pyrimidine
PubChem CID165020772
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2,4,6-tri(propan-2-yl)-5H-pyrrolo[2,3-d]pyrimidine
SMILESCC(C)C1=Nc2nc(C(C)C)nc(C(C)C)c2C1
InChIInChI=1S/C15H23N3/c1-8(2)12-7-11-13(9(3)4)17-14(10(5)6)18-15(11)16-12/h8-10H,7H2,1-6H3
InChIKeyIIDCQHYCVCFUAV-UHFFFAOYSA-N
XLogP4.01
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tri(propan-2-yl)-5H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2,4,6-tri(propan-2-yl)-5H-pyrrolo[2,3-d]pyrimidine (CID 165020772) is 2,4,6-tri(propan-2-yl)-5H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2,4,6-tri(propan-2-yl)-5H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2,4,6-tri(propan-2-yl)-5H-pyrrolo[2,3-d]pyrimidine is CC(C)C1=Nc2nc(C(C)C)nc(C(C)C)c2C1.
What is the InChIKey of 2,4,6-tri(propan-2-yl)-5H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is IIDCQHYCVCFUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-8(2)12-7-11-13(9(3)4)17-14(10(5)6)18-15(11)16-12/h8-10H,7H2,1-6H3.
What are the key properties of 2,4,6-tri(propan-2-yl)-5H-pyrrolo[2,3-d]pyrimidine?
2,4,6-tri(propan-2-yl)-5H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 245.37 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tri(propan-2-yl)-5H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 165020772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).