2,4-ditert-butyl-5H-cyclopenta[d]pyrimidine

C15H22N2 — CID 58408005

IUPAC2,4-ditert-butyl-5H-cyclopenta[d]pyrimidine
SMILESCC(C)(C)c1nc2c(c(C(C)(C)C)n1)CC=C2
InChIInChI=1S/C15H22N2/c1-14(2,3)12-10-8-7-9-11(10)16-13(17-12)15(4,5)6/h7,9H,8H2,1-6H3
InChIKeyWNOALLLLCUCVLO-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.64
Rot. Bonds

About 2,4-ditert-butyl-5H-cyclopenta[d]pyrimidine

2,4-ditert-butyl-5H-cyclopenta[d]pyrimidine (PubChem CID 58408005) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2,4-ditert-butyl-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2,4-ditert-butyl-5H-cyclopenta[d]pyrimidine
PubChem CID58408005
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2,4-ditert-butyl-5H-cyclopenta[d]pyrimidine
SMILESCC(C)(C)c1nc2c(c(C(C)(C)C)n1)CC=C2
InChIInChI=1S/C15H22N2/c1-14(2,3)12-10-8-7-9-11(10)16-13(17-12)15(4,5)6/h7,9H,8H2,1-6H3
InChIKeyWNOALLLLCUCVLO-UHFFFAOYSA-N
XLogP3.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2,4-ditert-butyl-5H-cyclopenta[d]pyrimidine (CID 58408005) is 2,4-ditert-butyl-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2,4-ditert-butyl-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2,4-ditert-butyl-5H-cyclopenta[d]pyrimidine is CC(C)(C)c1nc2c(c(C(C)(C)C)n1)CC=C2.
What is the InChIKey of 2,4-ditert-butyl-5H-cyclopenta[d]pyrimidine?
The InChIKey is WNOALLLLCUCVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-14(2,3)12-10-8-7-9-11(10)16-13(17-12)15(4,5)6/h7,9H,8H2,1-6H3.
What are the key properties of 2,4-ditert-butyl-5H-cyclopenta[d]pyrimidine?
2,4-ditert-butyl-5H-cyclopenta[d]pyrimidine has a molecular weight of 230.35 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 58408005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).