6-[(4,6-dimethylpyrimidin-2-yl)amino]chromen-2-one

C15H13N3O2 — CID 56683802

IUPAC6-[(4,6-dimethylpyrimidin-2-yl)amino]chromen-2-one
SMILESCc1cc(C)nc(Nc2ccc3oc(=O)ccc3c2)n1
InChIInChI=1S/C15H13N3O2/c1-9-7-10(2)17-15(16-9)18-12-4-5-13-11(8-12)3-6-14(19)20-13/h3-8H,1-2H3,(H,16,17,18)
InChIKeyYCUMKBUUBYWUKA-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.94
Rot. Bonds2

About 6-[(4,6-dimethylpyrimidin-2-yl)amino]chromen-2-one

6-[(4,6-dimethylpyrimidin-2-yl)amino]chromen-2-one (PubChem CID 56683802) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 6-[(4,6-dimethylpyrimidin-2-yl)amino]chromen-2-one.

Molecular Properties

Compound Name6-[(4,6-dimethylpyrimidin-2-yl)amino]chromen-2-one
PubChem CID56683802
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name6-[(4,6-dimethylpyrimidin-2-yl)amino]chromen-2-one
SMILESCc1cc(C)nc(Nc2ccc3oc(=O)ccc3c2)n1
InChIInChI=1S/C15H13N3O2/c1-9-7-10(2)17-15(16-9)18-12-4-5-13-11(8-12)3-6-14(19)20-13/h3-8H,1-2H3,(H,16,17,18)
InChIKeyYCUMKBUUBYWUKA-UHFFFAOYSA-N
XLogP2.94
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-[4-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 162646131
2-N-[4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 162648286
N-[4-(benzyloxy)phenyl]-N'-(4,6-dimethylpyrimidin-2-yl)guanidine
CID 5728131
1-[4-(4,6-Dimethylpyrimidin-2-yl)oxyphenyl]-3-(3-methylphenyl)urea
CID 51033261
6-[[4-Chloro-5-(2-chloroethyl)-6-methylpyrimidin-2-yl]amino]chromen-2-one
CID 56663453
6-[[4-(Diethylamino)-6-methylpyrimidin-2-yl]amino]chromen-2-one
CID 56670323
6-[(4,6-Dichloropyrimidin-2-yl)amino]chromen-2-one
CID 56673823
4-Amino-2-[(2-oxochromen-6-yl)amino]-6-phenylpyrimidine-5-carbonitrile
CID 56673824
6-[(4-Chloro-6-methylpyrimidin-2-yl)amino]chromen-2-one
CID 56677161
6-[(4-Methyl-6-phenylpyrimidin-2-yl)amino]chromen-2-one
CID 56677162
4-[4-(2-Amino-6-phenyl-pyrimidin-4-yl)-phenylamino]-chromen-2-one
CID 76312722
(E)-N-[4-[[3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]methoxy]phenyl]but-2-enamide
CID 145953733

Frequently Asked Questions

What is the IUPAC name of 6-[(4,6-dimethylpyrimidin-2-yl)amino]chromen-2-one?
The IUPAC name of 6-[(4,6-dimethylpyrimidin-2-yl)amino]chromen-2-one (CID 56683802) is 6-[(4,6-dimethylpyrimidin-2-yl)amino]chromen-2-one.
What is the SMILES notation for 6-[(4,6-dimethylpyrimidin-2-yl)amino]chromen-2-one?
The canonical SMILES for 6-[(4,6-dimethylpyrimidin-2-yl)amino]chromen-2-one is Cc1cc(C)nc(Nc2ccc3oc(=O)ccc3c2)n1.
What is the InChIKey of 6-[(4,6-dimethylpyrimidin-2-yl)amino]chromen-2-one?
The InChIKey is YCUMKBUUBYWUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9-7-10(2)17-15(16-9)18-12-4-5-13-11(8-12)3-6-14(19)20-13/h3-8H,1-2H3,(H,16,17,18).
What are the key properties of 6-[(4,6-dimethylpyrimidin-2-yl)amino]chromen-2-one?
6-[(4,6-dimethylpyrimidin-2-yl)amino]chromen-2-one has a molecular weight of 267.29 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,6-dimethylpyrimidin-2-yl)amino]chromen-2-one is sourced from PubChem (CID 56683802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).