2,6-ditert-butyl-6,7-dihydrofuro[3,2-d]pyrimidine

C14H22N2O — CID 167377264

IUPAC2,6-ditert-butyl-6,7-dihydrofuro[3,2-d]pyrimidine
SMILESCC(C)(C)c1ncc2c(n1)CC(C(C)(C)C)O2
InChIInChI=1S/C14H22N2O/c1-13(2,3)11-7-9-10(17-11)8-15-12(16-9)14(4,5)6/h8,11H,7H2,1-6H3
InChIKeyDLRRGLBUPZGXJL-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.12
Rot. Bonds

About 2,6-ditert-butyl-6,7-dihydrofuro[3,2-d]pyrimidine

2,6-ditert-butyl-6,7-dihydrofuro[3,2-d]pyrimidine (PubChem CID 167377264) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2,6-ditert-butyl-6,7-dihydrofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2,6-ditert-butyl-6,7-dihydrofuro[3,2-d]pyrimidine
PubChem CID167377264
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2,6-ditert-butyl-6,7-dihydrofuro[3,2-d]pyrimidine
SMILESCC(C)(C)c1ncc2c(n1)CC(C(C)(C)C)O2
InChIInChI=1S/C14H22N2O/c1-13(2,3)11-7-9-10(17-11)8-15-12(16-9)14(4,5)6/h8,11H,7H2,1-6H3
InChIKeyDLRRGLBUPZGXJL-UHFFFAOYSA-N
XLogP3.12
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-5,6,7,8-tetrahydroquinazoline
CID 18736797
1-(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)-N-methylmethanamine
CID 81425609
2-tert-butyl-6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine
CID 58100280
2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide
CID 153306204
(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-[(2S)-spiro[2.3]hexan-2-yl]methanone
CID 95228878
2-tert-butyl-6-methylidene-7-propan-2-ylpyrano[3,2-d]pyrimidin-8-one
CID 59802840
2-tert-butyl-4-cyclopropylpyrimidine
CID 58088107
2-tert-butyl-4-chloro-5-methylpyrimidine
CID 24903847
2,4-ditert-butyl-5-methylpyrimidine;ethane
CID 154663505
4-bromo-2-tert-butyl-5-methylpyrimidine
CID 153298631
2-tert-butyl-5-methylpyrimidine
CID 160929079
2-tert-butyl-7,7-dimethyl-N-propan-2-yl-6,8-dihydro-5H-quinazolin-5-amine
CID 45220491

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-6,7-dihydrofuro[3,2-d]pyrimidine?
The IUPAC name of 2,6-ditert-butyl-6,7-dihydrofuro[3,2-d]pyrimidine (CID 167377264) is 2,6-ditert-butyl-6,7-dihydrofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2,6-ditert-butyl-6,7-dihydrofuro[3,2-d]pyrimidine?
The canonical SMILES for 2,6-ditert-butyl-6,7-dihydrofuro[3,2-d]pyrimidine is CC(C)(C)c1ncc2c(n1)CC(C(C)(C)C)O2.
What is the InChIKey of 2,6-ditert-butyl-6,7-dihydrofuro[3,2-d]pyrimidine?
The InChIKey is DLRRGLBUPZGXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-13(2,3)11-7-9-10(17-11)8-15-12(16-9)14(4,5)6/h8,11H,7H2,1-6H3.
What are the key properties of 2,6-ditert-butyl-6,7-dihydrofuro[3,2-d]pyrimidine?
2,6-ditert-butyl-6,7-dihydrofuro[3,2-d]pyrimidine has a molecular weight of 234.34 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-6,7-dihydrofuro[3,2-d]pyrimidine is sourced from PubChem (CID 167377264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).