N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

C16H20N4O4 — CID 90650985

IUPACN-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)Cc1c[nH]c(=O)n(C)c1=O
InChIInChI=1S/C16H20N4O4/c1-9-5-10(2)19-14(24-4)12(9)8-17-13(21)6-11-7-18-16(23)20(3)15(11)22/h5,7H,6,8H2,1-4H3,(H,17,21)(H,18,23)
InChIKeyJJNRILLSTQPWGF-UHFFFAOYSA-N
MW332.36 g/mol
LogP-0.05
Rot. Bonds5

About N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 90650985) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID90650985
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC NameN-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)Cc1c[nH]c(=O)n(C)c1=O
InChIInChI=1S/C16H20N4O4/c1-9-5-10(2)19-14(24-4)12(9)8-17-13(21)6-11-7-18-16(23)20(3)15(11)22/h5,7H,6,8H2,1-4H3,(H,17,21)(H,18,23)
InChIKeyJJNRILLSTQPWGF-UHFFFAOYSA-N
XLogP-0.05
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 90650985) is N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is COc1nc(C)cc(C)c1CNC(=O)Cc1c[nH]c(=O)n(C)c1=O.
What is the InChIKey of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is JJNRILLSTQPWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-9-5-10(2)19-14(24-4)12(9)8-17-13(21)6-11-7-18-16(23)20(3)15(11)22/h5,7H,6,8H2,1-4H3,(H,17,21)(H,18,23).
What are the key properties of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 332.36 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 90650985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).