6-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]chromen-2-one

C18H20N4O2 — CID 56670323

IUPAC6-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]chromen-2-one
SMILESCCN(CC)c1cc(C)nc(Nc2ccc3oc(=O)ccc3c2)n1
InChIInChI=1S/C18H20N4O2/c1-4-22(5-2)16-10-12(3)19-18(21-16)20-14-7-8-15-13(11-14)6-9-17(23)24-15/h6-11H,4-5H2,1-3H3,(H,19,20,21)
InChIKeyTYMOHDNZGVZEIV-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.48
Rot. Bonds5

About 6-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]chromen-2-one

6-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]chromen-2-one (PubChem CID 56670323) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 6-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]chromen-2-one.

Molecular Properties

Compound Name6-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]chromen-2-one
PubChem CID56670323
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name6-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]chromen-2-one
SMILESCCN(CC)c1cc(C)nc(Nc2ccc3oc(=O)ccc3c2)n1
InChIInChI=1S/C18H20N4O2/c1-4-22(5-2)16-10-12(3)19-18(21-16)20-14-7-8-15-13(11-14)6-9-17(23)24-15/h6-11H,4-5H2,1-3H3,(H,19,20,21)
InChIKeyTYMOHDNZGVZEIV-UHFFFAOYSA-N
XLogP3.48
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]chromen-2-one?
The IUPAC name of 6-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]chromen-2-one (CID 56670323) is 6-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]chromen-2-one.
What is the SMILES notation for 6-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]chromen-2-one?
The canonical SMILES for 6-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]chromen-2-one is CCN(CC)c1cc(C)nc(Nc2ccc3oc(=O)ccc3c2)n1.
What is the InChIKey of 6-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]chromen-2-one?
The InChIKey is TYMOHDNZGVZEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-4-22(5-2)16-10-12(3)19-18(21-16)20-14-7-8-15-13(11-14)6-9-17(23)24-15/h6-11H,4-5H2,1-3H3,(H,19,20,21).
What are the key properties of 6-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]chromen-2-one?
6-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]chromen-2-one has a molecular weight of 324.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]chromen-2-one is sourced from PubChem (CID 56670323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).