3-[4-cyano-2-methoxy-5-(2-methylphenoxy)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C20H16N4O5 — CID 156716065

IUPAC3-[4-cyano-2-methoxy-5-(2-methylphenoxy)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCOc1cc(C#N)c(Oc2ccccc2C)cc1-n1c(=O)cc(C(N)=O)[nH]c1=O
InChIInChI=1S/C20H16N4O5/c1-11-5-3-4-6-15(11)29-16-9-14(17(28-2)7-12(16)10-21)24-18(25)8-13(19(22)26)23-20(24)27/h3-9H,1-2H3,(H2,22,26)(H,23,27)
InChIKeyASHYUKDFGPMMGU-UHFFFAOYSA-N
MW392.37 g/mol
LogP1.61
Rot. Bonds5

About 3-[4-cyano-2-methoxy-5-(2-methylphenoxy)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

3-[4-cyano-2-methoxy-5-(2-methylphenoxy)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 156716065) has the molecular formula C20H16N4O5 and a molecular weight of 392.37 g/mol. Its IUPAC name is 3-[4-cyano-2-methoxy-5-(2-methylphenoxy)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-[4-cyano-2-methoxy-5-(2-methylphenoxy)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID156716065
Molecular FormulaC20H16N4O5
Molecular Weight392.37 g/mol
Exact Mass392.11
IUPAC Name3-[4-cyano-2-methoxy-5-(2-methylphenoxy)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCOc1cc(C#N)c(Oc2ccccc2C)cc1-n1c(=O)cc(C(N)=O)[nH]c1=O
InChIInChI=1S/C20H16N4O5/c1-11-5-3-4-6-15(11)29-16-9-14(17(28-2)7-12(16)10-21)24-18(25)8-13(19(22)26)23-20(24)27/h3-9H,1-2H3,(H2,22,26)(H,23,27)
InChIKeyASHYUKDFGPMMGU-UHFFFAOYSA-N
XLogP1.61
TPSA140.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-cyano-2-methoxy-5-(2-methylphenoxy)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of 3-[4-cyano-2-methoxy-5-(2-methylphenoxy)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 156716065) is 3-[4-cyano-2-methoxy-5-(2-methylphenoxy)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 3-[4-cyano-2-methoxy-5-(2-methylphenoxy)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 3-[4-cyano-2-methoxy-5-(2-methylphenoxy)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is COc1cc(C#N)c(Oc2ccccc2C)cc1-n1c(=O)cc(C(N)=O)[nH]c1=O.
What is the InChIKey of 3-[4-cyano-2-methoxy-5-(2-methylphenoxy)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is ASHYUKDFGPMMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O5/c1-11-5-3-4-6-15(11)29-16-9-14(17(28-2)7-12(16)10-21)24-18(25)8-13(19(22)26)23-20(24)27/h3-9H,1-2H3,(H2,22,26)(H,23,27).
What are the key properties of 3-[4-cyano-2-methoxy-5-(2-methylphenoxy)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
3-[4-cyano-2-methoxy-5-(2-methylphenoxy)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 392.37 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-cyano-2-methoxy-5-(2-methylphenoxy)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 156716065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).