2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine

C17H21N3O — CID 65405035

IUPAC2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(C2COc3ccccc3C2)nc(NC)c1C
InChIInChI=1S/C17H21N3O/c1-4-14-11(2)16(18-3)20-17(19-14)13-9-12-7-5-6-8-15(12)21-10-13/h5-8,13H,4,9-10H2,1-3H3,(H,18,19,20)
InChIKeyAKNLWPPWZPHFBQ-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.11
Rot. Bonds3

About 2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine

2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine (PubChem CID 65405035) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
PubChem CID65405035
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(C2COc3ccccc3C2)nc(NC)c1C
InChIInChI=1S/C17H21N3O/c1-4-14-11(2)16(18-3)20-17(19-14)13-9-12-7-5-6-8-15(12)21-10-13/h5-8,13H,4,9-10H2,1-3H3,(H,18,19,20)
InChIKeyAKNLWPPWZPHFBQ-UHFFFAOYSA-N
XLogP3.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-5-methylpyrimidine
CID 65407928
2-(3,4-dihydro-2H-chromen-3-yl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740741
2-(2,3-dihydro-1H-inden-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 66299871
2-(3,4-dihydro-2H-chromen-3-yl)-6-methylpyrimidin-4-amine
CID 65406183
2-(3,4-dihydro-2H-chromen-3-yl)-N-propylpyrimidin-4-amine
CID 65406387
N-[[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65405832
2-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine
CID 65412681
2-[[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81066199
5-bromo-3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-thiadiazole
CID 102618251
N-[[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 65412889
(1S)-1-[2-(3,4-dihydro-2H-chromen-3-yl)-4-methylpyrimidin-5-yl]ethanol
CID 103431535
(1S)-1-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900174

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine (CID 65405035) is 2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine is CCc1nc(C2COc3ccccc3C2)nc(NC)c1C.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine?
The InChIKey is AKNLWPPWZPHFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-4-14-11(2)16(18-3)20-17(19-14)13-9-12-7-5-6-8-15(12)21-10-13/h5-8,13H,4,9-10H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine?
2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine has a molecular weight of 283.38 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 65405035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).