2-[(1R)-1-[2-(2-methoxyphenyl)ethyl-methylamino]ethyl]-4-methyl-1H-pyrimidin-6-one

C17H23N3O2 — CID 136674831

IUPAC2-[(1R)-1-[2-(2-methoxyphenyl)ethyl-methylamino]ethyl]-4-methyl-1H-pyrimidin-6-one
SMILESCOc1ccccc1CCN(C)[C@H](C)c1nc(C)cc(=O)[nH]1
InChIInChI=1S/C17H23N3O2/c1-12-11-16(21)19-17(18-12)13(2)20(3)10-9-14-7-5-6-8-15(14)22-4/h5-8,11,13H,9-10H2,1-4H3,(H,18,19,21)/t13-/m1/s1
InChIKeyXFKZTNGONSYVPS-CYBMUJFWSA-N
MW301.39 g/mol
LogP2.32
Rot. Bonds6

About 2-[(1R)-1-[2-(2-methoxyphenyl)ethyl-methylamino]ethyl]-4-methyl-1H-pyrimidin-6-one

2-[(1R)-1-[2-(2-methoxyphenyl)ethyl-methylamino]ethyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 136674831) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[(1R)-1-[2-(2-methoxyphenyl)ethyl-methylamino]ethyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(1R)-1-[2-(2-methoxyphenyl)ethyl-methylamino]ethyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID136674831
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[(1R)-1-[2-(2-methoxyphenyl)ethyl-methylamino]ethyl]-4-methyl-1H-pyrimidin-6-one
SMILESCOc1ccccc1CCN(C)[C@H](C)c1nc(C)cc(=O)[nH]1
InChIInChI=1S/C17H23N3O2/c1-12-11-16(21)19-17(18-12)13(2)20(3)10-9-14-7-5-6-8-15(14)22-4/h5-8,11,13H,9-10H2,1-4H3,(H,18,19,21)/t13-/m1/s1
InChIKeyXFKZTNGONSYVPS-CYBMUJFWSA-N
XLogP2.32
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxyphenyl)methylamino]-4-methyl-1H-pyrimidin-6-one
CID 135816304
N-[2-(2-methoxyphenyl)ethyl]-4,6-dimethyl-N-phenylpyrimidin-2-amine
CID 141094864
2-(1-methoxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one
CID 136930619
4-methyl-2-propan-2-yl-(2,4,5,6-13C4)1H-pyrimidin-6-one
CID 175903663
2-[(2-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135973576
4-(2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136691878
(2R)-N-(2-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135552392
2-(2-methoxyphenyl)ethyl-methylcarbamothioic S-acid
CID 115170477
2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 117042003
2-[1-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one
CID 135756556
2-[2-(2-methoxyphenyl)ethyl-methylamino]ethanethiol
CID 115224424
2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one
CID 136997551

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[2-(2-methoxyphenyl)ethyl-methylamino]ethyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(1R)-1-[2-(2-methoxyphenyl)ethyl-methylamino]ethyl]-4-methyl-1H-pyrimidin-6-one (CID 136674831) is 2-[(1R)-1-[2-(2-methoxyphenyl)ethyl-methylamino]ethyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(1R)-1-[2-(2-methoxyphenyl)ethyl-methylamino]ethyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(1R)-1-[2-(2-methoxyphenyl)ethyl-methylamino]ethyl]-4-methyl-1H-pyrimidin-6-one is COc1ccccc1CCN(C)[C@H](C)c1nc(C)cc(=O)[nH]1.
What is the InChIKey of 2-[(1R)-1-[2-(2-methoxyphenyl)ethyl-methylamino]ethyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is XFKZTNGONSYVPS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-11-16(21)19-17(18-12)13(2)20(3)10-9-14-7-5-6-8-15(14)22-4/h5-8,11,13H,9-10H2,1-4H3,(H,18,19,21)/t13-/m1/s1.
What are the key properties of 2-[(1R)-1-[2-(2-methoxyphenyl)ethyl-methylamino]ethyl]-4-methyl-1H-pyrimidin-6-one?
2-[(1R)-1-[2-(2-methoxyphenyl)ethyl-methylamino]ethyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 301.39 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[2-(2-methoxyphenyl)ethyl-methylamino]ethyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136674831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).