4-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C11H16N2 — CID 58172317

IUPAC4-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCC(C)(C)c1ncnc2c1CCC2
InChIInChI=1S/C11H16N2/c1-11(2,3)10-8-5-4-6-9(8)12-7-13-10/h7H,4-6H2,1-3H3
InChIKeyZVTPCUPFZNRURZ-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.26
Rot. Bonds

About 4-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 58172317) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID58172317
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name4-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCC(C)(C)c1ncnc2c1CCC2
InChIInChI=1S/C11H16N2/c1-11(2,3)10-8-5-4-6-9(8)12-7-13-10/h7H,4-6H2,1-3H3
InChIKeyZVTPCUPFZNRURZ-UHFFFAOYSA-N
XLogP2.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 58172317) is 4-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is CC(C)(C)c1ncnc2c1CCC2.
What is the InChIKey of 4-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is ZVTPCUPFZNRURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-11(2,3)10-8-5-4-6-9(8)12-7-13-10/h7H,4-6H2,1-3H3.
What are the key properties of 4-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 176.26 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 58172317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).