N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)acetamide

C12H20N4O4 — CID 2113288

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)acetamide
SMILESCCCn1c(N)c(N(CCOC)C(C)=O)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N4O4/c1-4-5-16-10(13)9(11(18)14-12(16)19)15(8(2)17)6-7-20-3/h4-7,13H2,1-3H3,(H,14,18,19)
InChIKeyCGWWRUSULOVKPC-UHFFFAOYSA-N
MW284.32 g/mol
LogP-0.47
Rot. Bonds6

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)acetamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 2113288) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)acetamide
PubChem CID2113288
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)acetamide
SMILESCCCn1c(N)c(N(CCOC)C(C)=O)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N4O4/c1-4-5-16-10(13)9(11(18)14-12(16)19)15(8(2)17)6-7-20-3/h4-7,13H2,1-3H3,(H,14,18,19)
InChIKeyCGWWRUSULOVKPC-UHFFFAOYSA-N
XLogP-0.47
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)acetamide (CID 2113288) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)acetamide is CCCn1c(N)c(N(CCOC)C(C)=O)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is CGWWRUSULOVKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-4-5-16-10(13)9(11(18)14-12(16)19)15(8(2)17)6-7-20-3/h4-7,13H2,1-3H3,(H,14,18,19).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)acetamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 284.32 g/mol, XLogP of -0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 2113288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).