7-(diethylamino)-4-methyl-3-pyrimidin-2-ylchromen-2-one

C18H19N3O2 — CID 89333106

IUPAC7-(diethylamino)-4-methyl-3-pyrimidin-2-ylchromen-2-one
SMILESCCN(CC)c1ccc2c(C)c(-c3ncccn3)c(=O)oc2c1
InChIInChI=1S/C18H19N3O2/c1-4-21(5-2)13-7-8-14-12(3)16(17-19-9-6-10-20-17)18(22)23-15(14)11-13/h6-11H,4-5H2,1-3H3
InChIKeyRKGQJWMXFLKZDQ-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.40
Rot. Bonds4

About 7-(diethylamino)-4-methyl-3-pyrimidin-2-ylchromen-2-one

7-(diethylamino)-4-methyl-3-pyrimidin-2-ylchromen-2-one (PubChem CID 89333106) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 7-(diethylamino)-4-methyl-3-pyrimidin-2-ylchromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-4-methyl-3-pyrimidin-2-ylchromen-2-one
PubChem CID89333106
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name7-(diethylamino)-4-methyl-3-pyrimidin-2-ylchromen-2-one
SMILESCCN(CC)c1ccc2c(C)c(-c3ncccn3)c(=O)oc2c1
InChIInChI=1S/C18H19N3O2/c1-4-21(5-2)13-7-8-14-12(3)16(17-19-9-6-10-20-17)18(22)23-15(14)11-13/h6-11H,4-5H2,1-3H3
InChIKeyRKGQJWMXFLKZDQ-UHFFFAOYSA-N
XLogP3.40
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-aminophenyl)-7-(diethylamino)-4-methylchromen-2-one
CID 659315
6,16-bis(diethylamino)-9,19-dioxapentacyclo[10.8.0.02,11.03,8.013,18]icosa-1(12),2(11),3(8),4,6,13(18),14,16-octaene-10,20-dione
CID 142217669
4-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]benzonitrile
CID 163286864
3-(4-acetyl-3-hydroxyphenyl)-7-(diethylamino)-4-methylchromen-2-one
CID 177429435
3-(diethylamino)benzo[c][1]benzoxepine-6,11-dione
CID 10085865
1-[4-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]phenyl]pyrrole-2,5-dione;pyrrole-2,5-dione
CID 22448310
3-bromo-4-chloro-7-(diethylamino)chromen-2-one
CID 648878
7-(diethylamino)-4-methyl-3-[3-(methylamino)but-1-enyl]chromen-2-one
CID 123988591
1-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-methylurea
CID 155169454
5-(diethylamino)-14-methyl-16-phenyl-8-oxa-12,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaen-9-one
CID 57382038
7-(diethylamino)-4-methylchromen-2-one sulfate
CID 23622381
5-(diethylamino)-15-phenyl-8-oxa-14,15,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one
CID 57381821

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-4-methyl-3-pyrimidin-2-ylchromen-2-one?
The IUPAC name of 7-(diethylamino)-4-methyl-3-pyrimidin-2-ylchromen-2-one (CID 89333106) is 7-(diethylamino)-4-methyl-3-pyrimidin-2-ylchromen-2-one.
What is the SMILES notation for 7-(diethylamino)-4-methyl-3-pyrimidin-2-ylchromen-2-one?
The canonical SMILES for 7-(diethylamino)-4-methyl-3-pyrimidin-2-ylchromen-2-one is CCN(CC)c1ccc2c(C)c(-c3ncccn3)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-4-methyl-3-pyrimidin-2-ylchromen-2-one?
The InChIKey is RKGQJWMXFLKZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-4-21(5-2)13-7-8-14-12(3)16(17-19-9-6-10-20-17)18(22)23-15(14)11-13/h6-11H,4-5H2,1-3H3.
What are the key properties of 7-(diethylamino)-4-methyl-3-pyrimidin-2-ylchromen-2-one?
7-(diethylamino)-4-methyl-3-pyrimidin-2-ylchromen-2-one has a molecular weight of 309.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-4-methyl-3-pyrimidin-2-ylchromen-2-one is sourced from PubChem (CID 89333106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).