8-methoxy-3-(3-methoxypropyl)-2-propan-2-ylchromeno[2,3-d]pyrimidine-4,5-dione

C19H22N2O5 — CID 667085

IUPAC8-methoxy-3-(3-methoxypropyl)-2-propan-2-ylchromeno[2,3-d]pyrimidine-4,5-dione
SMILESCOCCCn1c(C(C)C)nc2oc3cc(OC)ccc3c(=O)c2c1=O
InChIInChI=1S/C19H22N2O5/c1-11(2)17-20-18-15(19(23)21(17)8-5-9-24-3)16(22)13-7-6-12(25-4)10-14(13)26-18/h6-7,10-11H,5,8-9H2,1-4H3
InChIKeyPPNRUAZLHVFOEJ-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.67
Rot. Bonds6

About 8-methoxy-3-(3-methoxypropyl)-2-propan-2-ylchromeno[2,3-d]pyrimidine-4,5-dione

8-methoxy-3-(3-methoxypropyl)-2-propan-2-ylchromeno[2,3-d]pyrimidine-4,5-dione (PubChem CID 667085) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 8-methoxy-3-(3-methoxypropyl)-2-propan-2-ylchromeno[2,3-d]pyrimidine-4,5-dione.

Molecular Properties

Compound Name8-methoxy-3-(3-methoxypropyl)-2-propan-2-ylchromeno[2,3-d]pyrimidine-4,5-dione
PubChem CID667085
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name8-methoxy-3-(3-methoxypropyl)-2-propan-2-ylchromeno[2,3-d]pyrimidine-4,5-dione
SMILESCOCCCn1c(C(C)C)nc2oc3cc(OC)ccc3c(=O)c2c1=O
InChIInChI=1S/C19H22N2O5/c1-11(2)17-20-18-15(19(23)21(17)8-5-9-24-3)16(22)13-7-6-12(25-4)10-14(13)26-18/h6-7,10-11H,5,8-9H2,1-4H3
InChIKeyPPNRUAZLHVFOEJ-UHFFFAOYSA-N
XLogP2.67
TPSA83.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-(3-methoxypropyl)-2-propan-2-ylchromeno[2,3-d]pyrimidine-4,5-dione?
The IUPAC name of 8-methoxy-3-(3-methoxypropyl)-2-propan-2-ylchromeno[2,3-d]pyrimidine-4,5-dione (CID 667085) is 8-methoxy-3-(3-methoxypropyl)-2-propan-2-ylchromeno[2,3-d]pyrimidine-4,5-dione.
What is the SMILES notation for 8-methoxy-3-(3-methoxypropyl)-2-propan-2-ylchromeno[2,3-d]pyrimidine-4,5-dione?
The canonical SMILES for 8-methoxy-3-(3-methoxypropyl)-2-propan-2-ylchromeno[2,3-d]pyrimidine-4,5-dione is COCCCn1c(C(C)C)nc2oc3cc(OC)ccc3c(=O)c2c1=O.
What is the InChIKey of 8-methoxy-3-(3-methoxypropyl)-2-propan-2-ylchromeno[2,3-d]pyrimidine-4,5-dione?
The InChIKey is PPNRUAZLHVFOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-11(2)17-20-18-15(19(23)21(17)8-5-9-24-3)16(22)13-7-6-12(25-4)10-14(13)26-18/h6-7,10-11H,5,8-9H2,1-4H3.
What are the key properties of 8-methoxy-3-(3-methoxypropyl)-2-propan-2-ylchromeno[2,3-d]pyrimidine-4,5-dione?
8-methoxy-3-(3-methoxypropyl)-2-propan-2-ylchromeno[2,3-d]pyrimidine-4,5-dione has a molecular weight of 358.39 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(3-methoxypropyl)-2-propan-2-ylchromeno[2,3-d]pyrimidine-4,5-dione is sourced from PubChem (CID 667085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).