4-tert-butyl-2-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine

C14H22N2O — CID 59634369

IUPAC4-tert-butyl-2-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
SMILESCC(C)c1nc2c(c(C(C)(C)C)n1)CCCO2
InChIInChI=1S/C14H22N2O/c1-9(2)12-15-11(14(3,4)5)10-7-6-8-17-13(10)16-12/h9H,6-8H2,1-5H3
InChIKeyGJNVSVQGLOVLFC-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.22
Rot. Bonds1

About 4-tert-butyl-2-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine

4-tert-butyl-2-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine (PubChem CID 59634369) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-tert-butyl-2-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-tert-butyl-2-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
PubChem CID59634369
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-tert-butyl-2-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
SMILESCC(C)c1nc2c(c(C(C)(C)C)n1)CCCO2
InChIInChI=1S/C14H22N2O/c1-9(2)12-15-11(14(3,4)5)10-7-6-8-17-13(10)16-12/h9H,6-8H2,1-5H3
InChIKeyGJNVSVQGLOVLFC-UHFFFAOYSA-N
XLogP3.22
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine?
The IUPAC name of 4-tert-butyl-2-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine (CID 59634369) is 4-tert-butyl-2-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine.
What is the SMILES notation for 4-tert-butyl-2-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine?
The canonical SMILES for 4-tert-butyl-2-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine is CC(C)c1nc2c(c(C(C)(C)C)n1)CCCO2.
What is the InChIKey of 4-tert-butyl-2-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine?
The InChIKey is GJNVSVQGLOVLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-9(2)12-15-11(14(3,4)5)10-7-6-8-17-13(10)16-12/h9H,6-8H2,1-5H3.
What are the key properties of 4-tert-butyl-2-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine?
4-tert-butyl-2-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine has a molecular weight of 234.34 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine is sourced from PubChem (CID 59634369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).