3-methyl-6-[methyl-[(2,3,4-trimethoxyphenyl)methylideneamino]amino]-1H-pyrimidine-2,4-dione

C16H20N4O5 — CID 4024212

IUPAC3-methyl-6-[methyl-[(2,3,4-trimethoxyphenyl)methylideneamino]amino]-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(C=NN(C)c2cc(=O)n(C)c(=O)[nH]2)c(OC)c1OC
InChIInChI=1S/C16H20N4O5/c1-19-13(21)8-12(18-16(19)22)20(2)17-9-10-6-7-11(23-3)15(25-5)14(10)24-4/h6-9H,1-5H3,(H,18,22)
InChIKeyYIDOGNYOCBQCIH-UHFFFAOYSA-N
MW348.36 g/mol
LogP0.57
Rot. Bonds6

About 3-methyl-6-[methyl-[(2,3,4-trimethoxyphenyl)methylideneamino]amino]-1H-pyrimidine-2,4-dione

3-methyl-6-[methyl-[(2,3,4-trimethoxyphenyl)methylideneamino]amino]-1H-pyrimidine-2,4-dione (PubChem CID 4024212) has the molecular formula C16H20N4O5 and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-methyl-6-[methyl-[(2,3,4-trimethoxyphenyl)methylideneamino]amino]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-6-[methyl-[(2,3,4-trimethoxyphenyl)methylideneamino]amino]-1H-pyrimidine-2,4-dione
PubChem CID4024212
Molecular FormulaC16H20N4O5
Molecular Weight348.36 g/mol
Exact Mass348.14
IUPAC Name3-methyl-6-[methyl-[(2,3,4-trimethoxyphenyl)methylideneamino]amino]-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(C=NN(C)c2cc(=O)n(C)c(=O)[nH]2)c(OC)c1OC
InChIInChI=1S/C16H20N4O5/c1-19-13(21)8-12(18-16(19)22)20(2)17-9-10-6-7-11(23-3)15(25-5)14(10)24-4/h6-9H,1-5H3,(H,18,22)
InChIKeyYIDOGNYOCBQCIH-UHFFFAOYSA-N
XLogP0.57
TPSA98.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[methyl-[(2,3,4-trimethoxyphenyl)methylideneamino]amino]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-6-[methyl-[(2,3,4-trimethoxyphenyl)methylideneamino]amino]-1H-pyrimidine-2,4-dione (CID 4024212) is 3-methyl-6-[methyl-[(2,3,4-trimethoxyphenyl)methylideneamino]amino]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-6-[methyl-[(2,3,4-trimethoxyphenyl)methylideneamino]amino]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-6-[methyl-[(2,3,4-trimethoxyphenyl)methylideneamino]amino]-1H-pyrimidine-2,4-dione is COc1ccc(C=NN(C)c2cc(=O)n(C)c(=O)[nH]2)c(OC)c1OC.
What is the InChIKey of 3-methyl-6-[methyl-[(2,3,4-trimethoxyphenyl)methylideneamino]amino]-1H-pyrimidine-2,4-dione?
The InChIKey is YIDOGNYOCBQCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5/c1-19-13(21)8-12(18-16(19)22)20(2)17-9-10-6-7-11(23-3)15(25-5)14(10)24-4/h6-9H,1-5H3,(H,18,22).
What are the key properties of 3-methyl-6-[methyl-[(2,3,4-trimethoxyphenyl)methylideneamino]amino]-1H-pyrimidine-2,4-dione?
3-methyl-6-[methyl-[(2,3,4-trimethoxyphenyl)methylideneamino]amino]-1H-pyrimidine-2,4-dione has a molecular weight of 348.36 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[methyl-[(2,3,4-trimethoxyphenyl)methylideneamino]amino]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 4024212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).