1-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-6-hydroxypyrimidine-2,4-dione

C15H18N2O5 — CID 54013042

IUPAC1-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-6-hydroxypyrimidine-2,4-dione
SMILESCOc1ccc(C[C@@H](C)n2c(O)cc(=O)[nH]c2=O)cc1OC
InChIInChI=1S/C15H18N2O5/c1-9(17-14(19)8-13(18)16-15(17)20)6-10-4-5-11(21-2)12(7-10)22-3/h4-5,7-9,19H,6H2,1-3H3,(H,16,18,20)/t9-/m1/s1
InChIKeyKTSICEXSRUESPA-SECBINFHSA-N
MW306.32 g/mol
LogP1.06
Rot. Bonds5

About 1-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-6-hydroxypyrimidine-2,4-dione

1-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 54013042) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is 1-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-6-hydroxypyrimidine-2,4-dione
PubChem CID54013042
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name1-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-6-hydroxypyrimidine-2,4-dione
SMILESCOc1ccc(C[C@@H](C)n2c(O)cc(=O)[nH]c2=O)cc1OC
InChIInChI=1S/C15H18N2O5/c1-9(17-14(19)8-13(18)16-15(17)20)6-10-4-5-11(21-2)12(7-10)22-3/h4-5,7-9,19H,6H2,1-3H3,(H,16,18,20)/t9-/m1/s1
InChIKeyKTSICEXSRUESPA-SECBINFHSA-N
XLogP1.06
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione
CID 54167729
1-[2-(3,4-dimethoxyphenyl)propyl]-6-hydroxypyrimidine-2,4-dione
CID 54109675
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
4-[(2R,3S)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
CID 11725068
6-hydroxy-1-[(1R)-1-phenylethyl]pyrimidine-2,4-dione
CID 7642095
1-(3,4-dimethoxyphenyl)propan-2-amine;2-[1-(3,4-dimethoxyphenyl)propan-2-yl]isoindole-1,3-dione
CID 159156750
3-[(3,4-dimethoxyphenyl)methyl]pentane-2,4-dione
CID 137479905
(2S,3R)-2,3-bis[(3,4-dimethoxyphenyl)methyl]butanedioic acid
CID 58000802
(2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methyl]butanedioic acid
CID 10693323
1-(3,4-dimethoxyphenyl)-2-methylpentan-3-one
CID 79019340
1-(3,4-dimethoxyphenyl)propan-2-yl methanesulfonate
CID 21192341
5-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1,3-diazinane-2,4,6-trione
CID 70454826

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-6-hydroxypyrimidine-2,4-dione (CID 54013042) is 1-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-6-hydroxypyrimidine-2,4-dione is COc1ccc(C[C@@H](C)n2c(O)cc(=O)[nH]c2=O)cc1OC.
What is the InChIKey of 1-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is KTSICEXSRUESPA-SECBINFHSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-9(17-14(19)8-13(18)16-15(17)20)6-10-4-5-11(21-2)12(7-10)22-3/h4-5,7-9,19H,6H2,1-3H3,(H,16,18,20)/t9-/m1/s1.
What are the key properties of 1-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-6-hydroxypyrimidine-2,4-dione?
1-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 306.32 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 54013042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).