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

C17H26N2O — CID 59634400

IUPAC2,4-ditert-butylspiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]
SMILESCC(C)(C)c1nc2c(c(C(C)(C)C)n1)CCC1(CC1)O2
InChIInChI=1S/C17H26N2O/c1-15(2,3)12-11-7-8-17(9-10-17)20-13(11)19-14(18-12)16(4,5)6/h7-10H2,1-6H3
InChIKeyDRFVOPKPJKBSHD-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.93
Rot. Bonds

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

2,4-ditert-butylspiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane] (PubChem CID 59634400) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2,4-ditert-butylspiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane].

Molecular Properties

Compound Name2,4-ditert-butylspiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]
PubChem CID59634400
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2,4-ditert-butylspiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]
SMILESCC(C)(C)c1nc2c(c(C(C)(C)C)n1)CCC1(CC1)O2
InChIInChI=1S/C17H26N2O/c1-15(2,3)12-11-7-8-17(9-10-17)20-13(11)19-14(18-12)16(4,5)6/h7-10H2,1-6H3
InChIKeyDRFVOPKPJKBSHD-UHFFFAOYSA-N
XLogP3.93
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-ditert-butylspiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane] with MolForge

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Related Compounds

2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
CID 22943724
2,4-Di-t-butyl-6,7-dihydro-5h-pyrano[2,3-d]pyrimidine
CID 129708459
4-Ethoxy-2-fluoro-6-methylspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane]
CID 172576442
2-Fluoro-6-methyl-4-propan-2-yloxyspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane]
CID 172576503
2,4-Dioctyl-6,7-dihydro-5h-pyrano[2,3-d]pyrimidine
CID 129708445
2,4-Diethyl-6,7-dihydro-5h-pyrano[2,3-d]pyrimidine
CID 129708513
5-Butyl-4-ethoxy-2,6-dimethylpyrimidine
CID 15425429
4-methyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-amine
CID 20137762
5,7,9,11,13-Pentamethyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene
CID 20720121
2,4-dimethyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
CID 22082542
4-tert-butyl-2,6,6-trimethyl-5H-furo[2,3-d]pyrimidine
CID 59634351
7,7-dimethyl-2,4-di(propan-2-yl)-6H-pyrano[2,3-d]pyrimidin-5-one
CID 59634353

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butylspiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]?
The IUPAC name of 2,4-ditert-butylspiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane] (CID 59634400) is 2,4-ditert-butylspiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane].
What is the SMILES notation for 2,4-ditert-butylspiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]?
The canonical SMILES for 2,4-ditert-butylspiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane] is CC(C)(C)c1nc2c(c(C(C)(C)C)n1)CCC1(CC1)O2.
What is the InChIKey of 2,4-ditert-butylspiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]?
The InChIKey is DRFVOPKPJKBSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-15(2,3)12-11-7-8-17(9-10-17)20-13(11)19-14(18-12)16(4,5)6/h7-10H2,1-6H3.
What are the key properties of 2,4-ditert-butylspiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]?
2,4-ditert-butylspiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane] has a molecular weight of 274.41 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butylspiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane] is sourced from PubChem (CID 59634400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).