2,4-diethylspiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]

C13H18N2O — CID 67565837

IUPAC2,4-diethylspiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]
SMILESCCc1nc(CC)c2c(n1)OC1(CC2)CC1
InChIInChI=1S/C13H18N2O/c1-3-10-9-5-6-13(7-8-13)16-12(9)15-11(4-2)14-10/h3-8H2,1-2H3
InChIKeyDZQULYSUWYCJDD-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.46
Rot. Bonds2

About 2,4-diethylspiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]

2,4-diethylspiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane] (PubChem CID 67565837) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2,4-diethylspiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane].

Molecular Properties

Compound Name2,4-diethylspiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]
PubChem CID67565837
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2,4-diethylspiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]
SMILESCCc1nc(CC)c2c(n1)OC1(CC2)CC1
InChIInChI=1S/C13H18N2O/c1-3-10-9-5-6-13(7-8-13)16-12(9)15-11(4-2)14-10/h3-8H2,1-2H3
InChIKeyDZQULYSUWYCJDD-UHFFFAOYSA-N
XLogP2.46
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-diethylspiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]?
The IUPAC name of 2,4-diethylspiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane] (CID 67565837) is 2,4-diethylspiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane].
What is the SMILES notation for 2,4-diethylspiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]?
The canonical SMILES for 2,4-diethylspiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane] is CCc1nc(CC)c2c(n1)OC1(CC2)CC1.
What is the InChIKey of 2,4-diethylspiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]?
The InChIKey is DZQULYSUWYCJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-10-9-5-6-13(7-8-13)16-12(9)15-11(4-2)14-10/h3-8H2,1-2H3.
What are the key properties of 2,4-diethylspiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]?
2,4-diethylspiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane] has a molecular weight of 218.30 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethylspiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane] is sourced from PubChem (CID 67565837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).