5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione

C16H19N3O5 — CID 1401366

IUPAC5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCC/C(=N\Cc1cc(OC)cc(OC)c1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C16H19N3O5/c1-4-12(13-14(20)18-16(22)19-15(13)21)17-8-9-5-10(23-2)7-11(6-9)24-3/h5-7H,4,8H2,1-3H3,(H3,18,19,20,21,22)/b17-12+
InChIKeyOBEBWMFILPIJAK-SFQUDFHCSA-N
MW333.34 g/mol
LogP1.19
Rot. Bonds6

About 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione

5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 1401366) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID1401366
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCC/C(=N\Cc1cc(OC)cc(OC)c1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C16H19N3O5/c1-4-12(13-14(20)18-16(22)19-15(13)21)17-8-9-5-10(23-2)7-11(6-9)24-3/h5-7H,4,8H2,1-3H3,(H3,18,19,20,21,22)/b17-12+
InChIKeyOBEBWMFILPIJAK-SFQUDFHCSA-N
XLogP1.19
TPSA116.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.19
H-Bond Donors ≤ 53
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 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione (CID 1401366) is 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione is CC/C(=N\Cc1cc(OC)cc(OC)c1)c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is OBEBWMFILPIJAK-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-4-12(13-14(20)18-16(22)19-15(13)21)17-8-9-5-10(23-2)7-11(6-9)24-3/h5-7H,4,8H2,1-3H3,(H3,18,19,20,21,22)/b17-12+.
What are the key properties of 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 333.34 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 1401366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).