2-tert-butylspiro[3H-furo[3,4-d]pyrimidine-7,1'-cyclohexane]-4,5-dione

C15H20N2O3 — CID 141461948

IUPAC2-tert-butylspiro[3H-furo[3,4-d]pyrimidine-7,1'-cyclohexane]-4,5-dione
SMILESCC(C)(C)c1nc2c(c(=O)[nH]1)C(=O)OC21CCCCC1
InChIInChI=1S/C15H20N2O3/c1-14(2,3)13-16-10-9(11(18)17-13)12(19)20-15(10)7-5-4-6-8-15/h4-8H2,1-3H3,(H,16,17,18)
InChIKeyPNHVTJWRAJKKKS-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.40
Rot. Bonds

About 2-tert-butylspiro[3H-furo[3,4-d]pyrimidine-7,1'-cyclohexane]-4,5-dione

2-tert-butylspiro[3H-furo[3,4-d]pyrimidine-7,1'-cyclohexane]-4,5-dione (PubChem CID 141461948) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-tert-butylspiro[3H-furo[3,4-d]pyrimidine-7,1'-cyclohexane]-4,5-dione.

Molecular Properties

Compound Name2-tert-butylspiro[3H-furo[3,4-d]pyrimidine-7,1'-cyclohexane]-4,5-dione
PubChem CID141461948
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-tert-butylspiro[3H-furo[3,4-d]pyrimidine-7,1'-cyclohexane]-4,5-dione
SMILESCC(C)(C)c1nc2c(c(=O)[nH]1)C(=O)OC21CCCCC1
InChIInChI=1S/C15H20N2O3/c1-14(2,3)13-16-10-9(11(18)17-13)12(19)20-15(10)7-5-4-6-8-15/h4-8H2,1-3H3,(H,16,17,18)
InChIKeyPNHVTJWRAJKKKS-UHFFFAOYSA-N
XLogP2.40
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-7,7-diethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
CID 141461942

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylspiro[3H-furo[3,4-d]pyrimidine-7,1'-cyclohexane]-4,5-dione?
The IUPAC name of 2-tert-butylspiro[3H-furo[3,4-d]pyrimidine-7,1'-cyclohexane]-4,5-dione (CID 141461948) is 2-tert-butylspiro[3H-furo[3,4-d]pyrimidine-7,1'-cyclohexane]-4,5-dione.
What is the SMILES notation for 2-tert-butylspiro[3H-furo[3,4-d]pyrimidine-7,1'-cyclohexane]-4,5-dione?
The canonical SMILES for 2-tert-butylspiro[3H-furo[3,4-d]pyrimidine-7,1'-cyclohexane]-4,5-dione is CC(C)(C)c1nc2c(c(=O)[nH]1)C(=O)OC21CCCCC1.
What is the InChIKey of 2-tert-butylspiro[3H-furo[3,4-d]pyrimidine-7,1'-cyclohexane]-4,5-dione?
The InChIKey is PNHVTJWRAJKKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-14(2,3)13-16-10-9(11(18)17-13)12(19)20-15(10)7-5-4-6-8-15/h4-8H2,1-3H3,(H,16,17,18).
What are the key properties of 2-tert-butylspiro[3H-furo[3,4-d]pyrimidine-7,1'-cyclohexane]-4,5-dione?
2-tert-butylspiro[3H-furo[3,4-d]pyrimidine-7,1'-cyclohexane]-4,5-dione has a molecular weight of 276.34 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylspiro[3H-furo[3,4-d]pyrimidine-7,1'-cyclohexane]-4,5-dione is sourced from PubChem (CID 141461948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).