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

C17H21N3O2 — CID 163313873

IUPACN-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-4,5,6-trimethylpyrimidin-2-amine
SMILESCOc1cccc2c1OCC(Nc1nc(C)c(C)c(C)n1)C2
InChIInChI=1S/C17H21N3O2/c1-10-11(2)18-17(19-12(10)3)20-14-8-13-6-5-7-15(21-4)16(13)22-9-14/h5-7,14H,8-9H2,1-4H3,(H,18,19,20)
InChIKeyYYUIENHUJJHVTE-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.83
Rot. Bonds3

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

N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-4,5,6-trimethylpyrimidin-2-amine (PubChem CID 163313873) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-4,5,6-trimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-4,5,6-trimethylpyrimidin-2-amine
PubChem CID163313873
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-4,5,6-trimethylpyrimidin-2-amine
SMILESCOc1cccc2c1OCC(Nc1nc(C)c(C)c(C)n1)C2
InChIInChI=1S/C17H21N3O2/c1-10-11(2)18-17(19-12(10)3)20-14-8-13-6-5-7-15(21-4)16(13)22-9-14/h5-7,14H,8-9H2,1-4H3,(H,18,19,20)
InChIKeyYYUIENHUJJHVTE-UHFFFAOYSA-N
XLogP2.83
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrimidin-2-amine
CID 56824753
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 133294514
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]ethanesulfonamide
CID 93072784
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2,6-dimethylpyrimidine-4-carboxamide
CID 131932776
8-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 45249546
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
CID 53209975
(3S)-N-(1H-benzimidazol-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromen-3-amine
CID 31017822
8-methoxy-N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-3-amine
CID 45249758
1-(1,3-dimethylpyrazol-4-yl)-3-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
CID 126776076
(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7023638
5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-1,3-dihydroindol-2-one
CID 45244761
(3R)-8-methoxy-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine
CID 42474783

Frequently Asked Questions

What is the IUPAC name of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-4,5,6-trimethylpyrimidin-2-amine?
The IUPAC name of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-4,5,6-trimethylpyrimidin-2-amine (CID 163313873) is N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-4,5,6-trimethylpyrimidin-2-amine.
What is the SMILES notation for N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-4,5,6-trimethylpyrimidin-2-amine?
The canonical SMILES for N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-4,5,6-trimethylpyrimidin-2-amine is COc1cccc2c1OCC(Nc1nc(C)c(C)c(C)n1)C2.
What is the InChIKey of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-4,5,6-trimethylpyrimidin-2-amine?
The InChIKey is YYUIENHUJJHVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-10-11(2)18-17(19-12(10)3)20-14-8-13-6-5-7-15(21-4)16(13)22-9-14/h5-7,14H,8-9H2,1-4H3,(H,18,19,20).
What are the key properties of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-4,5,6-trimethylpyrimidin-2-amine?
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-4,5,6-trimethylpyrimidin-2-amine has a molecular weight of 299.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-4,5,6-trimethylpyrimidin-2-amine is sourced from PubChem (CID 163313873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).