6-amino-5-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione

C19H26N4O4 — CID 51168283

IUPAC6-amino-5-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCOc1ccc(CN(C)C(C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C19H26N4O4/c1-6-27-14-9-7-13(8-10-14)11-21(3)12(2)16(24)15-17(20)22(4)19(26)23(5)18(15)25/h7-10,12H,6,11,20H2,1-5H3
InChIKeyGCQNYXWXBCWJJD-UHFFFAOYSA-N
MW374.44 g/mol
LogP0.77
Rot. Bonds7

About 6-amino-5-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 51168283) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 6-amino-5-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID51168283
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name6-amino-5-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCOc1ccc(CN(C)C(C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C19H26N4O4/c1-6-27-14-9-7-13(8-10-14)11-21(3)12(2)16(24)15-17(20)22(4)19(26)23(5)18(15)25/h7-10,12H,6,11,20H2,1-5H3
InChIKeyGCQNYXWXBCWJJD-UHFFFAOYSA-N
XLogP0.77
TPSA99.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-amino-5-[(2R)-2-[benzyl(methyl)amino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
CID 27133743
6-amino-1,3-dimethyl-5-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanoyl]pyrimidine-2,4-dione
CID 86865451
ethyl 5-[(2R)-2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 8515426
N-[(4-ethoxyphenyl)methyl]-N-methylpropan-2-amine
CID 78815360
2-[(4-ethoxyphenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one
CID 78786280
6-amino-5-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 27206199
methyl N-[(2R)-2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]carbamate
CID 8695096
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]acetate
CID 2642019
(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 9494892
(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide
CID 8515256
1-(2,6-dimethylpiperidin-1-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]propan-1-one
CID 86976500
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 30819548

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione (CID 51168283) is 6-amino-5-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione is CCOc1ccc(CN(C)C(C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1.
What is the InChIKey of 6-amino-5-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is GCQNYXWXBCWJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-6-27-14-9-7-13(8-10-14)11-21(3)12(2)16(24)15-17(20)22(4)19(26)23(5)18(15)25/h7-10,12H,6,11,20H2,1-5H3.
What are the key properties of 6-amino-5-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 374.44 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 51168283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).