3-butyl-8-ethoxychromeno[2,3-d]pyrimidine-2,4-dione

C17H18N2O4 — CID 129279538

IUPAC3-butyl-8-ethoxychromeno[2,3-d]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)nc2oc3cc(OCC)ccc3cc-2c1=O
InChIInChI=1S/C17H18N2O4/c1-3-5-8-19-16(20)13-9-11-6-7-12(22-4-2)10-14(11)23-15(13)18-17(19)21/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyWVEWRYYULOAJLM-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.65
Rot. Bonds5

About 3-butyl-8-ethoxychromeno[2,3-d]pyrimidine-2,4-dione

3-butyl-8-ethoxychromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 129279538) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-butyl-8-ethoxychromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-butyl-8-ethoxychromeno[2,3-d]pyrimidine-2,4-dione
PubChem CID129279538
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name3-butyl-8-ethoxychromeno[2,3-d]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)nc2oc3cc(OCC)ccc3cc-2c1=O
InChIInChI=1S/C17H18N2O4/c1-3-5-8-19-16(20)13-9-11-6-7-12(22-4-2)10-14(11)23-15(13)18-17(19)21/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyWVEWRYYULOAJLM-UHFFFAOYSA-N
XLogP2.65
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-7-ethoxy-2-imino-2H-chromene-3-carboxamide
CID 4033284
8-Imino-4-methyl-9-(pyrrolidine-1-carbonyl)pyrano[2,3-f]chromen-2-one
CID 127039998
8-Imino-4-methyl-9-(morpholine-4-carbonyl)pyrano[2,3-f]chromen-2-one
CID 127040328
1-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
CID 118689464
3-Methyl-2H-[1]benzopyrano[2,3-d]pyrimidine-2,4(3H)-dione
CID 12761967
3-Ethylchromeno[2,3-d]pyrimidine-2,4-dione
CID 70676627
3-Propylchromeno[2,3-d]pyrimidine-2,4-dione
CID 70676628
3-Butylchromeno[2,3-d]pyrimidine-2,4-dione
CID 70676792
3-Butyl-7-chloro-8-ethoxychromeno[2,3-d]pyrimidine-2,4-dione
CID 129279510
9-Fluoro-2-hydroxy-8-(4-methoxybutoxy)-2,3-dihydrochromeno[2,3-d]pyrimidin-4-one
CID 129305931
7-Methoxy-2-(2,4,6-trimethoxyphenyl)-2,3-dihydrochromeno[2,3-d]pyrimidin-4-one
CID 172451980
[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-(7-propoxy-2H-chromen-3-yl)methanone
CID 72112634

Frequently Asked Questions

What is the IUPAC name of 3-butyl-8-ethoxychromeno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-butyl-8-ethoxychromeno[2,3-d]pyrimidine-2,4-dione (CID 129279538) is 3-butyl-8-ethoxychromeno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-butyl-8-ethoxychromeno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-butyl-8-ethoxychromeno[2,3-d]pyrimidine-2,4-dione is CCCCn1c(=O)nc2oc3cc(OCC)ccc3cc-2c1=O.
What is the InChIKey of 3-butyl-8-ethoxychromeno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is WVEWRYYULOAJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-3-5-8-19-16(20)13-9-11-6-7-12(22-4-2)10-14(11)23-15(13)18-17(19)21/h6-7,9-10H,3-5,8H2,1-2H3.
What are the key properties of 3-butyl-8-ethoxychromeno[2,3-d]pyrimidine-2,4-dione?
3-butyl-8-ethoxychromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 314.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-8-ethoxychromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 129279538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).