N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)acetamide

C14H15ClN4O4 — CID 3072527

IUPACN-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)acetamide
SMILESCn1c(N)c(NC(=O)COc2ccc(Cl)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C14H15ClN4O4/c1-18-12(16)11(13(21)19(2)14(18)22)17-10(20)7-23-9-5-3-8(15)4-6-9/h3-6H,7,16H2,1-2H3,(H,17,20)
InChIKeyNQSWBHCESYNVMM-UHFFFAOYSA-N
MW338.75 g/mol
LogP0.34
Rot. Bonds4

About N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)acetamide

N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)acetamide (PubChem CID 3072527) has the molecular formula C14H15ClN4O4 and a molecular weight of 338.75 g/mol. Its IUPAC name is N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)acetamide
PubChem CID3072527
Molecular FormulaC14H15ClN4O4
Molecular Weight338.75 g/mol
Exact Mass338.08
IUPAC NameN-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)acetamide
SMILESCn1c(N)c(NC(=O)COc2ccc(Cl)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C14H15ClN4O4/c1-18-12(16)11(13(21)19(2)14(18)22)17-10(20)7-23-9-5-3-8(15)4-6-9/h3-6H,7,16H2,1-2H3,(H,17,20)
InChIKeyNQSWBHCESYNVMM-UHFFFAOYSA-N
XLogP0.34
TPSA108.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.75
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)acetamide (CID 3072527) is N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)acetamide is Cn1c(N)c(NC(=O)COc2ccc(Cl)cc2)c(=O)n(C)c1=O.
What is the InChIKey of N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)acetamide?
The InChIKey is NQSWBHCESYNVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O4/c1-18-12(16)11(13(21)19(2)14(18)22)17-10(20)7-23-9-5-3-8(15)4-6-9/h3-6H,7,16H2,1-2H3,(H,17,20).
What are the key properties of N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)acetamide?
N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)acetamide has a molecular weight of 338.75 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 3072527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).