5-[[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C18H26N4O3 — CID 119126443

IUPAC5-[[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1cccc(C(CNCc2cn(C)c(=O)n(C)c2=O)N(C)C)c1
InChIInChI=1S/C18H26N4O3/c1-20(2)16(13-7-6-8-15(9-13)25-5)11-19-10-14-12-21(3)18(24)22(4)17(14)23/h6-9,12,16,19H,10-11H2,1-5H3
InChIKeyIQMQERADDAZEOO-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.49
Rot. Bonds7

About 5-[[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 119126443) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-[[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID119126443
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name5-[[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1cccc(C(CNCc2cn(C)c(=O)n(C)c2=O)N(C)C)c1
InChIInChI=1S/C18H26N4O3/c1-20(2)16(13-7-6-8-15(9-13)25-5)11-19-10-14-12-21(3)18(24)22(4)17(14)23/h6-9,12,16,19H,10-11H2,1-5H3
InChIKeyIQMQERADDAZEOO-UHFFFAOYSA-N
XLogP0.49
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-methoxyphenyl)-N,N-dimethyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 43823561
N'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 43177837
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine
CID 66408691
N'-(2,2-dimethoxyethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 63686447
4-[[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]methyl]phenol
CID 43823560
N'-(3-fluoropropyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 81106317
2-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide
CID 28596145
1-(3-methoxyphenyl)-N,N-dimethyl-N'-[(3,4,5-trifluorophenyl)methyl]ethane-1,2-diamine
CID 119126444
N'-[(E)-3-chloroprop-2-enyl]-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 107899641
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 103605338
methyl 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]propanoate
CID 43093101
methyl 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 43398367

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 119126443) is 5-[[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is COc1cccc(C(CNCc2cn(C)c(=O)n(C)c2=O)N(C)C)c1.
What is the InChIKey of 5-[[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is IQMQERADDAZEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-20(2)16(13-7-6-8-15(9-13)25-5)11-19-10-14-12-21(3)18(24)22(4)17(14)23/h6-9,12,16,19H,10-11H2,1-5H3.
What are the key properties of 5-[[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 346.43 g/mol, XLogP of 0.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 119126443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).