6-hydroxy-1,3-dimethyl-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]pyrimidine-2,4-dione

C16H19N3O3 — CID 3781895

IUPAC6-hydroxy-1,3-dimethyl-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]pyrimidine-2,4-dione
SMILESC/C(=N\CCc1ccccc1)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C16H19N3O3/c1-11(17-10-9-12-7-5-4-6-8-12)13-14(20)18(2)16(22)19(3)15(13)21/h4-8,20H,9-10H2,1-3H3/b17-11+
InChIKeyBEEAGCHTPMTQMU-GZTJUZNOSA-N
MW301.35 g/mol
LogP0.84
Rot. Bonds4

About 6-hydroxy-1,3-dimethyl-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]pyrimidine-2,4-dione

6-hydroxy-1,3-dimethyl-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]pyrimidine-2,4-dione (PubChem CID 3781895) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 6-hydroxy-1,3-dimethyl-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1,3-dimethyl-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]pyrimidine-2,4-dione
PubChem CID3781895
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name6-hydroxy-1,3-dimethyl-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]pyrimidine-2,4-dione
SMILESC/C(=N\CCc1ccccc1)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C16H19N3O3/c1-11(17-10-9-12-7-5-4-6-8-12)13-14(20)18(2)16(22)19(3)15(13)21/h4-8,20H,9-10H2,1-3H3/b17-11+
InChIKeyBEEAGCHTPMTQMU-GZTJUZNOSA-N
XLogP0.84
TPSA76.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,3-dimethyl-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1,3-dimethyl-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]pyrimidine-2,4-dione (CID 3781895) is 6-hydroxy-1,3-dimethyl-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1,3-dimethyl-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1,3-dimethyl-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]pyrimidine-2,4-dione is C/C(=N\CCc1ccccc1)c1c(O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-hydroxy-1,3-dimethyl-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]pyrimidine-2,4-dione?
The InChIKey is BEEAGCHTPMTQMU-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11(17-10-9-12-7-5-4-6-8-12)13-14(20)18(2)16(22)19(3)15(13)21/h4-8,20H,9-10H2,1-3H3/b17-11+.
What are the key properties of 6-hydroxy-1,3-dimethyl-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]pyrimidine-2,4-dione?
6-hydroxy-1,3-dimethyl-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]pyrimidine-2,4-dione has a molecular weight of 301.35 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3-dimethyl-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]pyrimidine-2,4-dione is sourced from PubChem (CID 3781895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).