7-(dimethylamino)-3-pyrimidin-2-ylchromen-2-one

C15H13N3O2 — CID 58667740

IUPAC7-(dimethylamino)-3-pyrimidin-2-ylchromen-2-one
SMILESCN(C)c1ccc2cc(-c3ncccn3)c(=O)oc2c1
InChIInChI=1S/C15H13N3O2/c1-18(2)11-5-4-10-8-12(14-16-6-3-7-17-14)15(19)20-13(10)9-11/h3-9H,1-2H3
InChIKeyYBUZKVFCVJEZFR-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.32
Rot. Bonds2

About 7-(dimethylamino)-3-pyrimidin-2-ylchromen-2-one

7-(dimethylamino)-3-pyrimidin-2-ylchromen-2-one (PubChem CID 58667740) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 7-(dimethylamino)-3-pyrimidin-2-ylchromen-2-one.

Molecular Properties

Compound Name7-(dimethylamino)-3-pyrimidin-2-ylchromen-2-one
PubChem CID58667740
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name7-(dimethylamino)-3-pyrimidin-2-ylchromen-2-one
SMILESCN(C)c1ccc2cc(-c3ncccn3)c(=O)oc2c1
InChIInChI=1S/C15H13N3O2/c1-18(2)11-5-4-10-8-12(14-16-6-3-7-17-14)15(19)20-13(10)9-11/h3-9H,1-2H3
InChIKeyYBUZKVFCVJEZFR-UHFFFAOYSA-N
XLogP2.32
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.32
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

7-(dimethylamino)-3-phenylchromen-2-one
CID 10611726
7-hydroxy-3-pyrimidin-2-ylchromen-2-one
CID 137183754
7-(dimethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one
CID 87679527
7-(dimethylamino)-3-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]chromen-2-one
CID 87648151
3-(1-benzylpyridin-1-ium-4-yl)-7-(dimethylamino)chromen-2-one
CID 87648362
7-(dimethylamino)-2-oxochromene-3-carbonyl fluoride
CID 14729871
7-(dimethylamino)-3-(1-methylpyridin-1-ium-4-yl)chromen-2-one;hydrogen sulfate
CID 87649960
7-(dimethylamino)-3-(1-prop-2-enylpyridin-1-ium-4-yl)chromen-2-one
CID 87648388
7-(diethylamino)-3-pyridin-3-ylchromen-2-one
CID 89474400
7-(dimethylamino)-3-(1,3-dimethyl-2H-benzimidazol-2-yl)chromen-2-one
CID 153326132
3-(1,3-benzoxazol-2-yl)-7-[2-(dimethylamino)ethyl-methylamino]chromen-2-one
CID 71622685
3-[6-(dimethylamino)-1-benzofuran-2-yl]-4-phenylpyrrole-2,5-dione
CID 70452206

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-3-pyrimidin-2-ylchromen-2-one?
The IUPAC name of 7-(dimethylamino)-3-pyrimidin-2-ylchromen-2-one (CID 58667740) is 7-(dimethylamino)-3-pyrimidin-2-ylchromen-2-one.
What is the SMILES notation for 7-(dimethylamino)-3-pyrimidin-2-ylchromen-2-one?
The canonical SMILES for 7-(dimethylamino)-3-pyrimidin-2-ylchromen-2-one is CN(C)c1ccc2cc(-c3ncccn3)c(=O)oc2c1.
What is the InChIKey of 7-(dimethylamino)-3-pyrimidin-2-ylchromen-2-one?
The InChIKey is YBUZKVFCVJEZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-18(2)11-5-4-10-8-12(14-16-6-3-7-17-14)15(19)20-13(10)9-11/h3-9H,1-2H3.
What are the key properties of 7-(dimethylamino)-3-pyrimidin-2-ylchromen-2-one?
7-(dimethylamino)-3-pyrimidin-2-ylchromen-2-one has a molecular weight of 267.29 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-3-pyrimidin-2-ylchromen-2-one is sourced from PubChem (CID 58667740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).