6-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-(oxan-4-yl)-1H-pyrimidine-2,4-dione

C18H23N3O4 — CID 178165251

IUPAC6-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-(oxan-4-yl)-1H-pyrimidine-2,4-dione
SMILESCOC[C@H](Nc1cc(=O)n(C2CCOCC2)c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C18H23N3O4/c1-24-12-15(13-5-3-2-4-6-13)19-16-11-17(22)21(18(23)20-16)14-7-9-25-10-8-14/h2-6,11,14-15,19H,7-10,12H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyWPTKIBHJFAZPDF-HNNXBMFYSA-N
MW345.40 g/mol
LogP1.69
Rot. Bonds6

About 6-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-(oxan-4-yl)-1H-pyrimidine-2,4-dione

6-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-(oxan-4-yl)-1H-pyrimidine-2,4-dione (PubChem CID 178165251) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 6-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-(oxan-4-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-(oxan-4-yl)-1H-pyrimidine-2,4-dione
PubChem CID178165251
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name6-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-(oxan-4-yl)-1H-pyrimidine-2,4-dione
SMILESCOC[C@H](Nc1cc(=O)n(C2CCOCC2)c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C18H23N3O4/c1-24-12-15(13-5-3-2-4-6-13)19-16-11-17(22)21(18(23)20-16)14-7-9-25-10-8-14/h2-6,11,14-15,19H,7-10,12H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyWPTKIBHJFAZPDF-HNNXBMFYSA-N
XLogP1.69
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-(oxan-4-yl)-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

6-[[(1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethyl]amino]-3-(oxan-4-yl)-1H-pyrimidine-2,4-dione
CID 163377852
N-(2-methoxy-1-phenylethyl)oxolan-3-amine
CID 115889939
N-(2-methoxy-1-phenylethyl)piperidine-4-carboxamide
CID 119315130
N-(2-methoxy-1-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119315129
3-cyclobutyl-6-[[(1S)-1-(2,3,4,5,6-pentadeuteriophenyl)ethyl]amino]-1H-pyrimidine-2,4-dione
CID 151665969
2,4,6-tribromo-N-(2-methoxy-1-phenylethyl)aniline
CID 103463564
7-methoxy-3-(oxan-4-yl)-1H-benzimidazol-2-one
CID 117206184
2-[(2-methoxy-1-phenylethyl)amino]-1-methyl-4H-imidazol-5-one
CID 170158270
(2-methoxy-1-phenylethyl)carbamic acid
CID 69063915
N-[(1S)-2-methoxy-1-phenylethyl]prop-1-en-2-amine
CID 89012748
N-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine
CID 133403156
N-(2-methoxy-1-phenylethyl)cyclopentanamine
CID 84596036

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-(oxan-4-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-(oxan-4-yl)-1H-pyrimidine-2,4-dione (CID 178165251) is 6-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-(oxan-4-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-(oxan-4-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-(oxan-4-yl)-1H-pyrimidine-2,4-dione is COC[C@H](Nc1cc(=O)n(C2CCOCC2)c(=O)[nH]1)c1ccccc1.
What is the InChIKey of 6-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-(oxan-4-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is WPTKIBHJFAZPDF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-24-12-15(13-5-3-2-4-6-13)19-16-11-17(22)21(18(23)20-16)14-7-9-25-10-8-14/h2-6,11,14-15,19H,7-10,12H2,1H3,(H,20,23)/t15-/m0/s1.
What are the key properties of 6-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-(oxan-4-yl)-1H-pyrimidine-2,4-dione?
6-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-(oxan-4-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 345.40 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-(oxan-4-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 178165251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).