butane;5-ethyl-2-methyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C14H20N2O3 — CID 143517349

IUPACbutane;5-ethyl-2-methyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCCC.CCc1cc(=O)oc2nc(C)[nH]c(=O)c12
InChIInChI=1S/C10H10N2O3.C4H10/c1-3-6-4-7(13)15-10-8(6)9(14)11-5(2)12-10;1-3-4-2/h4H,3H2,1-2H3,(H,11,12,14);3-4H2,1-2H3
InChIKeyDHFWFSYZWDXKFM-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.55
Rot. Bonds2

About butane;5-ethyl-2-methyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione

butane;5-ethyl-2-methyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 143517349) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is butane;5-ethyl-2-methyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Namebutane;5-ethyl-2-methyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID143517349
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namebutane;5-ethyl-2-methyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCCC.CCc1cc(=O)oc2nc(C)[nH]c(=O)c12
InChIInChI=1S/C10H10N2O3.C4H10/c1-3-6-4-7(13)15-10-8(6)9(14)11-5(2)12-10;1-3-4-2/h4H,3H2,1-2H3,(H,11,12,14);3-4H2,1-2H3
InChIKeyDHFWFSYZWDXKFM-UHFFFAOYSA-N
XLogP2.55
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-but-2-ynoxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 15605359
2-[difluoromethyl-5-pentyl-4H-pyrano[2,3-d]pyrimidine-4,7(3H)-dione
CID 24954204
5-ethyl-2-hex-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 24954935
5-butyl-2-(difluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 24955288
2-(difluoromethyl)-5-hexyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 24955642
2-(difluoromethyl)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 53318768
5-ethyl-2-methoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57393654
5-ethyl-2-(2-methoxyethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57393655
2-(difluoromethyl)-5-isopentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 53324024
5-ethyl-2-(fluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 53326616
2-(2-ethoxyethoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57398904
2-ethoxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57402396

Frequently Asked Questions

What is the IUPAC name of butane;5-ethyl-2-methyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of butane;5-ethyl-2-methyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 143517349) is butane;5-ethyl-2-methyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for butane;5-ethyl-2-methyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for butane;5-ethyl-2-methyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCCC.CCc1cc(=O)oc2nc(C)[nH]c(=O)c12.
What is the InChIKey of butane;5-ethyl-2-methyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is DHFWFSYZWDXKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3.C4H10/c1-3-6-4-7(13)15-10-8(6)9(14)11-5(2)12-10;1-3-4-2/h4H,3H2,1-2H3,(H,11,12,14);3-4H2,1-2H3.
What are the key properties of butane;5-ethyl-2-methyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
butane;5-ethyl-2-methyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 264.32 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;5-ethyl-2-methyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 143517349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).