1,3-dimethyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]pyrimidine-2,4-dione

C16H21N3O2 — CID 81367065

IUPAC1,3-dimethyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]pyrimidine-2,4-dione
SMILESCc1cccc([C@H](C)NCc2cn(C)c(=O)n(C)c2=O)c1
InChIInChI=1S/C16H21N3O2/c1-11-6-5-7-13(8-11)12(2)17-9-14-10-18(3)16(21)19(4)15(14)20/h5-8,10,12,17H,9H2,1-4H3/t12-/m0/s1
InChIKeyXYCHUSBVWPSYRB-LBPRGKRZSA-N
MW287.36 g/mol
LogP1.24
Rot. Bonds4

About 1,3-dimethyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]pyrimidine-2,4-dione

1,3-dimethyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]pyrimidine-2,4-dione (PubChem CID 81367065) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]pyrimidine-2,4-dione
PubChem CID81367065
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1,3-dimethyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]pyrimidine-2,4-dione
SMILESCc1cccc([C@H](C)NCc2cn(C)c(=O)n(C)c2=O)c1
InChIInChI=1S/C16H21N3O2/c1-11-6-5-7-13(8-11)12(2)17-9-14-10-18(3)16(21)19(4)15(14)20/h5-8,10,12,17H,9H2,1-4H3/t12-/m0/s1
InChIKeyXYCHUSBVWPSYRB-LBPRGKRZSA-N
XLogP1.24
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,3-dimethyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 83089241
(1R)-1-(3-methylphenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 81363130
4-methyl-2-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 81360761
(1S)-N-[(2-bromophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363977
(1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 104930243
5-[(4-methoxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 62733720
(1R)-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363525
(1S)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 103991886
methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]propanoate
CID 60780540
(1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363119
(1R)-N-[(2-methoxy-5-methylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363923
(1R)-N-[(2,4-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363606

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]pyrimidine-2,4-dione (CID 81367065) is 1,3-dimethyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]pyrimidine-2,4-dione is Cc1cccc([C@H](C)NCc2cn(C)c(=O)n(C)c2=O)c1.
What is the InChIKey of 1,3-dimethyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]pyrimidine-2,4-dione?
The InChIKey is XYCHUSBVWPSYRB-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-6-5-7-13(8-11)12(2)17-9-14-10-18(3)16(21)19(4)15(14)20/h5-8,10,12,17H,9H2,1-4H3/t12-/m0/s1.
What are the key properties of 1,3-dimethyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]pyrimidine-2,4-dione has a molecular weight of 287.36 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 81367065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).