6-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine

C17H21N3O — CID 114747414

IUPAC6-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine
SMILESCCNc1nc(C)nc(-c2cccc3c2OCCC3)c1C
InChIInChI=1S/C17H21N3O/c1-4-18-17-11(2)15(19-12(3)20-17)14-9-5-7-13-8-6-10-21-16(13)14/h5,7,9H,4,6,8,10H2,1-3H3,(H,18,19,20)
InChIKeyPAUMUHKQJGNEEB-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.52
Rot. Bonds3

About 6-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine

6-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine (PubChem CID 114747414) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine
PubChem CID114747414
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name6-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine
SMILESCCNc1nc(C)nc(-c2cccc3c2OCCC3)c1C
InChIInChI=1S/C17H21N3O/c1-4-18-17-11(2)15(19-12(3)20-17)14-9-5-7-13-8-6-10-21-16(13)14/h5,7,9H,4,6,8,10H2,1-3H3,(H,18,19,20)
InChIKeyPAUMUHKQJGNEEB-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,3-dihydro-1-benzofuran-7-yl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 114747223
2-cyclopropyl-4-(3,4-dihydro-2H-chromen-8-yl)-5-methyl-1H-pyrimidin-6-one
CID 136770157
6-(2,3-dihydro-1-benzofuran-7-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 114747241
3-(3,4-dihydro-2H-chromen-8-yl)-2-methylpyridine;methanamine
CID 165409090
3-(3,4-dihydro-2H-chromen-8-yl)-4-methylpyridine
CID 165409098
8-methyl-3,4-dihydro-2H-chromene;1,2,3,5-tetramethylbenzene
CID 158337388
4-(3,4-dihydro-2H-chromen-8-yl)pyridine
CID 165409197
2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-7-yl)-N-ethylpyrimidin-4-amine
CID 114747205
6-(2,3-dihydro-1-benzofuran-7-yl)-5-ethyl-N-propylpyrimidin-4-amine
CID 114747264
4-(3,4-dihydro-2H-chromen-8-yl)-N-methylpyrimidin-2-amine
CID 114747360
2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylphenyl)pyrimidin-4-amine
CID 80975895
N-[[4-(3,4-dihydro-2H-chromen-8-yl)-3-fluorophenyl]methyl]ethanamine
CID 114746619

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine (CID 114747414) is 6-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine is CCNc1nc(C)nc(-c2cccc3c2OCCC3)c1C.
What is the InChIKey of 6-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine?
The InChIKey is PAUMUHKQJGNEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-4-18-17-11(2)15(19-12(3)20-17)14-9-5-7-13-8-6-10-21-16(13)14/h5,7,9H,4,6,8,10H2,1-3H3,(H,18,19,20).
What are the key properties of 6-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine?
6-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine has a molecular weight of 283.38 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 114747414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).