2-ethyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[2,3-d]pyrimidine

C14H22N2O — CID 67565841

IUPAC2-ethyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[2,3-d]pyrimidine
SMILESCCc1nc2c(c(C(C)C)n1)CCC(C)(C)O2
InChIInChI=1S/C14H22N2O/c1-6-11-15-12(9(2)3)10-7-8-14(4,5)17-13(10)16-11/h9H,6-8H2,1-5H3
InChIKeyLGBRHHWUPJMCDP-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.27
Rot. Bonds2

About 2-ethyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[2,3-d]pyrimidine

2-ethyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[2,3-d]pyrimidine (PubChem CID 67565841) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-ethyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-ethyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[2,3-d]pyrimidine
PubChem CID67565841
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-ethyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[2,3-d]pyrimidine
SMILESCCc1nc2c(c(C(C)C)n1)CCC(C)(C)O2
InChIInChI=1S/C14H22N2O/c1-6-11-15-12(9(2)3)10-7-8-14(4,5)17-13(10)16-11/h9H,6-8H2,1-5H3
InChIKeyLGBRHHWUPJMCDP-UHFFFAOYSA-N
XLogP3.27
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
4-Ethoxy-2-methyl-5,6,7,8-tetrahydroquinazoline 1-oxide
CID 156025277
5-Butyl-4-ethoxy-2,6-dimethylpyrimidine
CID 15425429
4-methyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-amine
CID 20137762
4-methyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
CID 20703075
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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[2,3-d]pyrimidine?
The IUPAC name of 2-ethyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[2,3-d]pyrimidine (CID 67565841) is 2-ethyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[2,3-d]pyrimidine.
What is the SMILES notation for 2-ethyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[2,3-d]pyrimidine?
The canonical SMILES for 2-ethyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[2,3-d]pyrimidine is CCc1nc2c(c(C(C)C)n1)CCC(C)(C)O2.
What is the InChIKey of 2-ethyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[2,3-d]pyrimidine?
The InChIKey is LGBRHHWUPJMCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-6-11-15-12(9(2)3)10-7-8-14(4,5)17-13(10)16-11/h9H,6-8H2,1-5H3.
What are the key properties of 2-ethyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[2,3-d]pyrimidine?
2-ethyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[2,3-d]pyrimidine has a molecular weight of 234.34 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[2,3-d]pyrimidine is sourced from PubChem (CID 67565841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).