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

C14H15N3O3 — CID 1397036

IUPAC6-hydroxy-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1H-pyrimidine-2,4-dione
SMILESC/C(=N\CCc1ccccc1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H15N3O3/c1-9(11-12(18)16-14(20)17-13(11)19)15-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H3,16,17,18,19,20)/b15-9+
InChIKeyJVCARODJRSMPSN-OQLLNIDSSA-N
MW273.29 g/mol
LogP0.82
Rot. Bonds4

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

6-hydroxy-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1H-pyrimidine-2,4-dione (PubChem CID 1397036) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 6-hydroxy-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1H-pyrimidine-2,4-dione
PubChem CID1397036
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name6-hydroxy-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1H-pyrimidine-2,4-dione
SMILESC/C(=N\CCc1ccccc1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H15N3O3/c1-9(11-12(18)16-14(20)17-13(11)19)15-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H3,16,17,18,19,20)/b15-9+
InChIKeyJVCARODJRSMPSN-OQLLNIDSSA-N
XLogP0.82
TPSA98.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1H-pyrimidine-2,4-dione (CID 1397036) is 6-hydroxy-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1H-pyrimidine-2,4-dione is C/C(=N\CCc1ccccc1)c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1H-pyrimidine-2,4-dione?
The InChIKey is JVCARODJRSMPSN-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9(11-12(18)16-14(20)17-13(11)19)15-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H3,16,17,18,19,20)/b15-9+.
What are the key properties of 6-hydroxy-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1H-pyrimidine-2,4-dione?
6-hydroxy-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1H-pyrimidine-2,4-dione has a molecular weight of 273.29 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 1397036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).