7-chloro-8-(2-methylpropoxy)chromeno[2,3-d]pyrimidine-2,4-dione

C15H13ClN2O4 — CID 129292745

IUPAC7-chloro-8-(2-methylpropoxy)chromeno[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)COc1cc2oc3nc(=O)[nH]c(=O)c-3cc2cc1Cl
InChIInChI=1S/C15H13ClN2O4/c1-7(2)6-21-12-5-11-8(4-10(12)16)3-9-13(19)17-15(20)18-14(9)22-11/h3-5,7H,6H2,1-2H3,(H,17,19,20)
InChIKeyADBDKMJPIOTSDJ-UHFFFAOYSA-N
MW320.73 g/mol
LogP2.67
Rot. Bonds3

About 7-chloro-8-(2-methylpropoxy)chromeno[2,3-d]pyrimidine-2,4-dione

7-chloro-8-(2-methylpropoxy)chromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 129292745) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is 7-chloro-8-(2-methylpropoxy)chromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-chloro-8-(2-methylpropoxy)chromeno[2,3-d]pyrimidine-2,4-dione
PubChem CID129292745
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC Name7-chloro-8-(2-methylpropoxy)chromeno[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)COc1cc2oc3nc(=O)[nH]c(=O)c-3cc2cc1Cl
InChIInChI=1S/C15H13ClN2O4/c1-7(2)6-21-12-5-11-8(4-10(12)16)3-9-13(19)17-15(20)18-14(9)22-11/h3-5,7H,6H2,1-2H3,(H,17,19,20)
InChIKeyADBDKMJPIOTSDJ-UHFFFAOYSA-N
XLogP2.67
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-(2-methylpropoxy)chromeno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-chloro-8-(2-methylpropoxy)chromeno[2,3-d]pyrimidine-2,4-dione (CID 129292745) is 7-chloro-8-(2-methylpropoxy)chromeno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-chloro-8-(2-methylpropoxy)chromeno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-chloro-8-(2-methylpropoxy)chromeno[2,3-d]pyrimidine-2,4-dione is CC(C)COc1cc2oc3nc(=O)[nH]c(=O)c-3cc2cc1Cl.
What is the InChIKey of 7-chloro-8-(2-methylpropoxy)chromeno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ADBDKMJPIOTSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c1-7(2)6-21-12-5-11-8(4-10(12)16)3-9-13(19)17-15(20)18-14(9)22-11/h3-5,7H,6H2,1-2H3,(H,17,19,20).
What are the key properties of 7-chloro-8-(2-methylpropoxy)chromeno[2,3-d]pyrimidine-2,4-dione?
7-chloro-8-(2-methylpropoxy)chromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 320.73 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-(2-methylpropoxy)chromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 129292745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).