5-(3-cyclopropylpropyl)-2-hexan-2-yloxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C19H26N2O4 — CID 152958325

IUPAC5-(3-cyclopropylpropyl)-2-hexan-2-yloxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCCCC(C)Oc1nc2oc(=O)cc(CCCC3CC3)c2c(=O)[nH]1
InChIInChI=1S/C19H26N2O4/c1-3-4-6-12(2)24-19-20-17(23)16-14(8-5-7-13-9-10-13)11-15(22)25-18(16)21-19/h11-13H,3-10H2,1-2H3,(H,20,21,23)
InChIKeyUQBOPYHELHDJNF-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.57
Rot. Bonds9

About 5-(3-cyclopropylpropyl)-2-hexan-2-yloxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione

5-(3-cyclopropylpropyl)-2-hexan-2-yloxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 152958325) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-(3-cyclopropylpropyl)-2-hexan-2-yloxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(3-cyclopropylpropyl)-2-hexan-2-yloxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID152958325
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name5-(3-cyclopropylpropyl)-2-hexan-2-yloxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCCCC(C)Oc1nc2oc(=O)cc(CCCC3CC3)c2c(=O)[nH]1
InChIInChI=1S/C19H26N2O4/c1-3-4-6-12(2)24-19-20-17(23)16-14(8-5-7-13-9-10-13)11-15(22)25-18(16)21-19/h11-13H,3-10H2,1-2H3,(H,20,21,23)
InChIKeyUQBOPYHELHDJNF-UHFFFAOYSA-N
XLogP3.57
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3-cyclopropylpropyl)-2-hexan-2-yloxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione with MolForge

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Related Compounds

5-(4-cyclopropylbutyl)-2-(difluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 53324057
5-(4-cyclopropylbutyl)-2-[(4,4-difluorocyclohexylidene)amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 58925952
ethyl N-[[5-(2-cyclopropylethyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxy]carbamate
CID 59304692
5-butyl-2-[3-(phenylmethoxymethyl)cyclobutyl]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-(3-cyclopropylpropyl)-3-(difluoromethyl)-1,2-dihydropyrano[2,3-d]pyrimidine-4,7-dione;methane
CID 160956586
5-(2-cyclopentylethyl)-2-(methylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 143517390
propan-2-yl 4-[(5-butyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl)oxyimino]piperidine-1-carboxylate
CID 59389538
5-(3-cyclopropylpropyl)-3-(difluoromethyl)-2-methylsulfanylpyrano[2,3-d]pyrimidine-4,7-dione;5-(3-cyclopropylpropyl)-2-methylsulfanyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 158971447
ethyl N-[(5-hexyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl)oxy]carbamate
CID 59304770
2-(difluoromethyl)-5-hexyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 24955642
5-ethyl-2-(3-methyl-1-phenylbutoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 163869895
cyclopentyl 2-[4-[(4,7-dioxo-5-pentyl-3H-pyrano[2,3-d]pyrimidin-2-yl)oxyimino]cyclohexyl]acetate
CID 58187556
5-butyl-2-[[4,4,4-trifluoro-1-(4-methylpiperazin-1-yl)butylidene]amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 91387215

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropylpropyl)-2-hexan-2-yloxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(3-cyclopropylpropyl)-2-hexan-2-yloxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 152958325) is 5-(3-cyclopropylpropyl)-2-hexan-2-yloxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(3-cyclopropylpropyl)-2-hexan-2-yloxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(3-cyclopropylpropyl)-2-hexan-2-yloxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCCCC(C)Oc1nc2oc(=O)cc(CCCC3CC3)c2c(=O)[nH]1.
What is the InChIKey of 5-(3-cyclopropylpropyl)-2-hexan-2-yloxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is UQBOPYHELHDJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-3-4-6-12(2)24-19-20-17(23)16-14(8-5-7-13-9-10-13)11-15(22)25-18(16)21-19/h11-13H,3-10H2,1-2H3,(H,20,21,23).
What are the key properties of 5-(3-cyclopropylpropyl)-2-hexan-2-yloxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-(3-cyclopropylpropyl)-2-hexan-2-yloxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 346.43 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropylpropyl)-2-hexan-2-yloxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 152958325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).