N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)acetamide

C18H27N5O5 — CID 8834446

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(=O)Cc1c(C)noc1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C18H27N5O5/c1-10(2)9-23-16(19)15(17(25)20-18(23)26)22(6-7-27-5)14(24)8-13-11(3)21-28-12(13)4/h10H,6-9,19H2,1-5H3,(H,20,25,26)
InChIKeyLZEGHZFOJCKNKQ-UHFFFAOYSA-N
MW393.44 g/mol
LogP0.60
Rot. Bonds8

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)acetamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 8834446) has the molecular formula C18H27N5O5 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)acetamide
PubChem CID8834446
Molecular FormulaC18H27N5O5
Molecular Weight393.44 g/mol
Exact Mass393.20
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(=O)Cc1c(C)noc1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C18H27N5O5/c1-10(2)9-23-16(19)15(17(25)20-18(23)26)22(6-7-27-5)14(24)8-13-11(3)21-28-12(13)4/h10H,6-9,19H2,1-5H3,(H,20,25,26)
InChIKeyLZEGHZFOJCKNKQ-UHFFFAOYSA-N
XLogP0.60
TPSA136.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)acetamide (CID 8834446) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)acetamide is COCCN(C(=O)Cc1c(C)noc1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is LZEGHZFOJCKNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O5/c1-10(2)9-23-16(19)15(17(25)20-18(23)26)22(6-7-27-5)14(24)8-13-11(3)21-28-12(13)4/h10H,6-9,19H2,1-5H3,(H,20,25,26).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)acetamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 393.44 g/mol, XLogP of 0.60, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 8834446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).