5-tert-butylfuro[3,4-d]pyrimidine

C10H12N2O — CID 90328614

IUPAC5-tert-butylfuro[3,4-d]pyrimidine
SMILESCC(C)(C)c1occ2ncncc12
InChIInChI=1S/C10H12N2O/c1-10(2,3)9-7-4-11-6-12-8(7)5-13-9/h4-6H,1-3H3
InChIKeyFNDROYGGVFBEBH-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.52
Rot. Bonds

About 5-tert-butylfuro[3,4-d]pyrimidine

5-tert-butylfuro[3,4-d]pyrimidine (PubChem CID 90328614) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-tert-butylfuro[3,4-d]pyrimidine.

Molecular Properties

Compound Name5-tert-butylfuro[3,4-d]pyrimidine
PubChem CID90328614
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name5-tert-butylfuro[3,4-d]pyrimidine
SMILESCC(C)(C)c1occ2ncncc12
InChIInChI=1S/C10H12N2O/c1-10(2,3)9-7-4-11-6-12-8(7)5-13-9/h4-6H,1-3H3
InChIKeyFNDROYGGVFBEBH-UHFFFAOYSA-N
XLogP2.52
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butylfuro[3,4-d]pyrimidine?
The IUPAC name of 5-tert-butylfuro[3,4-d]pyrimidine (CID 90328614) is 5-tert-butylfuro[3,4-d]pyrimidine.
What is the SMILES notation for 5-tert-butylfuro[3,4-d]pyrimidine?
The canonical SMILES for 5-tert-butylfuro[3,4-d]pyrimidine is CC(C)(C)c1occ2ncncc12.
What is the InChIKey of 5-tert-butylfuro[3,4-d]pyrimidine?
The InChIKey is FNDROYGGVFBEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-10(2,3)9-7-4-11-6-12-8(7)5-13-9/h4-6H,1-3H3.
What are the key properties of 5-tert-butylfuro[3,4-d]pyrimidine?
5-tert-butylfuro[3,4-d]pyrimidine has a molecular weight of 176.22 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylfuro[3,4-d]pyrimidine is sourced from PubChem (CID 90328614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).