2-methyl-5-propoxy-5H-chromeno[4,3-d]pyrimidine

C15H16N2O2 — CID 70547047

IUPAC2-methyl-5-propoxy-5H-chromeno[4,3-d]pyrimidine
SMILESCCCOC1Oc2ccccc2-c2nc(C)ncc21
InChIInChI=1S/C15H16N2O2/c1-3-8-18-15-12-9-16-10(2)17-14(12)11-6-4-5-7-13(11)19-15/h4-7,9,15H,3,8H2,1-2H3
InChIKeyLHAHIZURMYBQSK-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.27
Rot. Bonds3

About 2-methyl-5-propoxy-5H-chromeno[4,3-d]pyrimidine

2-methyl-5-propoxy-5H-chromeno[4,3-d]pyrimidine (PubChem CID 70547047) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-methyl-5-propoxy-5H-chromeno[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-5-propoxy-5H-chromeno[4,3-d]pyrimidine
PubChem CID70547047
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name2-methyl-5-propoxy-5H-chromeno[4,3-d]pyrimidine
SMILESCCCOC1Oc2ccccc2-c2nc(C)ncc21
InChIInChI=1S/C15H16N2O2/c1-3-8-18-15-12-9-16-10(2)17-14(12)11-6-4-5-7-13(11)19-15/h4-7,9,15H,3,8H2,1-2H3
InChIKeyLHAHIZURMYBQSK-UHFFFAOYSA-N
XLogP3.27
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propoxy-5H-chromeno[4,3-d]pyrimidine?
The IUPAC name of 2-methyl-5-propoxy-5H-chromeno[4,3-d]pyrimidine (CID 70547047) is 2-methyl-5-propoxy-5H-chromeno[4,3-d]pyrimidine.
What is the SMILES notation for 2-methyl-5-propoxy-5H-chromeno[4,3-d]pyrimidine?
The canonical SMILES for 2-methyl-5-propoxy-5H-chromeno[4,3-d]pyrimidine is CCCOC1Oc2ccccc2-c2nc(C)ncc21.
What is the InChIKey of 2-methyl-5-propoxy-5H-chromeno[4,3-d]pyrimidine?
The InChIKey is LHAHIZURMYBQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-3-8-18-15-12-9-16-10(2)17-14(12)11-6-4-5-7-13(11)19-15/h4-7,9,15H,3,8H2,1-2H3.
What are the key properties of 2-methyl-5-propoxy-5H-chromeno[4,3-d]pyrimidine?
2-methyl-5-propoxy-5H-chromeno[4,3-d]pyrimidine has a molecular weight of 256.30 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propoxy-5H-chromeno[4,3-d]pyrimidine is sourced from PubChem (CID 70547047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).