1,3-dimethyl-6-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]pyrimidine-2,4-dione

C17H23N3O2 — CID 94532848

IUPAC1,3-dimethyl-6-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]pyrimidine-2,4-dione
SMILESCC(C)[C@H](NCc1cc(=O)n(C)c(=O)n1C)c1ccccc1
InChIInChI=1S/C17H23N3O2/c1-12(2)16(13-8-6-5-7-9-13)18-11-14-10-15(21)20(4)17(22)19(14)3/h5-10,12,16,18H,11H2,1-4H3/t16-/m0/s1
InChIKeyCTXRBEQJLKJVIZ-INIZCTEOSA-N
MW301.39 g/mol
LogP1.57
Rot. Bonds5

About 1,3-dimethyl-6-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]pyrimidine-2,4-dione (PubChem CID 94532848) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1,3-dimethyl-6-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]pyrimidine-2,4-dione
PubChem CID94532848
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1,3-dimethyl-6-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]pyrimidine-2,4-dione
SMILESCC(C)[C@H](NCc1cc(=O)n(C)c(=O)n1C)c1ccccc1
InChIInChI=1S/C17H23N3O2/c1-12(2)16(13-8-6-5-7-9-13)18-11-14-10-15(21)20(4)17(22)19(14)3/h5-10,12,16,18H,11H2,1-4H3/t16-/m0/s1
InChIKeyCTXRBEQJLKJVIZ-INIZCTEOSA-N
XLogP1.57
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]pyrimidine-2,4-dione (CID 94532848) is 1,3-dimethyl-6-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]pyrimidine-2,4-dione is CC(C)[C@H](NCc1cc(=O)n(C)c(=O)n1C)c1ccccc1.
What is the InChIKey of 1,3-dimethyl-6-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]pyrimidine-2,4-dione?
The InChIKey is CTXRBEQJLKJVIZ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12(2)16(13-8-6-5-7-9-13)18-11-14-10-15(21)20(4)17(22)19(14)3/h5-10,12,16,18H,11H2,1-4H3/t16-/m0/s1.
What are the key properties of 1,3-dimethyl-6-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]pyrimidine-2,4-dione has a molecular weight of 301.39 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 94532848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).