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

C14H24N4O3 — CID 14326120

IUPACN-[4-amino-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]acetamide
SMILESCC(=O)Nc1c(N)n(CC(C)C)c(=O)n(CC(C)C)c1=O
InChIInChI=1S/C14H24N4O3/c1-8(2)6-17-12(15)11(16-10(5)19)13(20)18(14(17)21)7-9(3)4/h8-9H,6-7,15H2,1-5H3,(H,16,19)
InChIKeyOKKVORDDXFDEEC-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.86
Rot. Bonds5

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

N-[4-amino-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]acetamide (PubChem CID 14326120) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[4-amino-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-amino-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]acetamide
PubChem CID14326120
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC NameN-[4-amino-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]acetamide
SMILESCC(=O)Nc1c(N)n(CC(C)C)c(=O)n(CC(C)C)c1=O
InChIInChI=1S/C14H24N4O3/c1-8(2)6-17-12(15)11(16-10(5)19)13(20)18(14(17)21)7-9(3)4/h8-9H,6-7,15H2,1-5H3,(H,16,19)
InChIKeyOKKVORDDXFDEEC-UHFFFAOYSA-N
XLogP0.86
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]acetamide?
The IUPAC name of N-[4-amino-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]acetamide (CID 14326120) is N-[4-amino-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]acetamide.
What is the SMILES notation for N-[4-amino-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]acetamide?
The canonical SMILES for N-[4-amino-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]acetamide is CC(=O)Nc1c(N)n(CC(C)C)c(=O)n(CC(C)C)c1=O.
What is the InChIKey of N-[4-amino-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]acetamide?
The InChIKey is OKKVORDDXFDEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-8(2)6-17-12(15)11(16-10(5)19)13(20)18(14(17)21)7-9(3)4/h8-9H,6-7,15H2,1-5H3,(H,16,19).
What are the key properties of N-[4-amino-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]acetamide?
N-[4-amino-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]acetamide has a molecular weight of 296.37 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]acetamide is sourced from PubChem (CID 14326120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).