1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione

C11H8N2O3 — CID 12693917

IUPAC1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2c(c(=O)[nH]1)Cc1ccccc1O2
InChIInChI=1S/C11H8N2O3/c14-9-7-5-6-3-1-2-4-8(6)16-10(7)13-11(15)12-9/h1-4H,5H2,(H2,12,13,14,15)
InChIKeyAGTIHCPHSIMRJP-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.76
Rot. Bonds

About 1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione

1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 12693917) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione
PubChem CID12693917
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2c(c(=O)[nH]1)Cc1ccccc1O2
InChIInChI=1S/C11H8N2O3/c14-9-7-5-6-3-1-2-4-8(6)16-10(7)13-11(15)12-9/h1-4H,5H2,(H2,12,13,14,15)
InChIKeyAGTIHCPHSIMRJP-UHFFFAOYSA-N
XLogP0.76
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ammonium 5-(2,4-dimethoxybenzyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
CID 16745849
5-[(2-methoxyphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
CID 66550524
5-(2-methoxyphenyl)-1,3-dimethyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4,7(1H,3H,6H)-trione
CID 3162456
5-(2-Methoxy-benzyl)-1H-pyrimidine-2,4-dione
CID 10421443
6-Amino-5-(4-methoxybenzyl)-2,4-pyrimidinediol
CID 388637
7-amino-5-(2-methoxyphenyl)-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 3411700
5-(2-ethoxyphenyl)-1,3-dimethyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4,7(1H,3H,6H)-trione
CID 3162457
5-(4-methoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 171357554
5-(2-isopropoxyphenyl)-1,3-dimethyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4,7(1H,3H,6H)-trione
CID 3162453
5-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-1,3-dimethyl-1,5-dihydro-2H-chromeno[2,3-d]pyrimidine-2,4(3H)-dione
CID 2836479
6,6-dimethyl-4,6a,7,12b-tetrahydro-1H,6H-chromeno[4',3':4,5]pyrano[2,3-d]pyrimidine-1,3(2H)-dione
CID 3291148
5-(2,4-dihydroxy-5H-chromeno[2,3-d]pyrimidin-5-yl)-2,6-dihydroxypyrimidin-4(5H)-one
CID 3637324

Frequently Asked Questions

What is the IUPAC name of 1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione (CID 12693917) is 1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione is O=c1[nH]c2c(c(=O)[nH]1)Cc1ccccc1O2.
What is the InChIKey of 1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is AGTIHCPHSIMRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c14-9-7-5-6-3-1-2-4-8(6)16-10(7)13-11(15)12-9/h1-4H,5H2,(H2,12,13,14,15).
What are the key properties of 1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione?
1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 216.20 g/mol, XLogP of 0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 12693917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).