2-(3-butyl-2,4-dioxo-1H-pyrimidin-6-yl)propanamide

C11H17N3O3 — CID 71019134

IUPAC2-(3-butyl-2,4-dioxo-1H-pyrimidin-6-yl)propanamide
SMILESCCCCn1c(=O)cc(C(C)C(N)=O)[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-3-4-5-14-9(15)6-8(13-11(14)17)7(2)10(12)16/h6-7H,3-5H2,1-2H3,(H2,12,16)(H,13,17)
InChIKeyMOPOBRMTCKQKIC-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.07
Rot. Bonds5

About 2-(3-butyl-2,4-dioxo-1H-pyrimidin-6-yl)propanamide

2-(3-butyl-2,4-dioxo-1H-pyrimidin-6-yl)propanamide (PubChem CID 71019134) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(3-butyl-2,4-dioxo-1H-pyrimidin-6-yl)propanamide.

Molecular Properties

Compound Name2-(3-butyl-2,4-dioxo-1H-pyrimidin-6-yl)propanamide
PubChem CID71019134
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-(3-butyl-2,4-dioxo-1H-pyrimidin-6-yl)propanamide
SMILESCCCCn1c(=O)cc(C(C)C(N)=O)[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-3-4-5-14-9(15)6-8(13-11(14)17)7(2)10(12)16/h6-7H,3-5H2,1-2H3,(H2,12,16)(H,13,17)
InChIKeyMOPOBRMTCKQKIC-UHFFFAOYSA-N
XLogP-0.07
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-2,4-dioxo-1H-pyrimidin-6-yl)propanamide?
The IUPAC name of 2-(3-butyl-2,4-dioxo-1H-pyrimidin-6-yl)propanamide (CID 71019134) is 2-(3-butyl-2,4-dioxo-1H-pyrimidin-6-yl)propanamide.
What is the SMILES notation for 2-(3-butyl-2,4-dioxo-1H-pyrimidin-6-yl)propanamide?
The canonical SMILES for 2-(3-butyl-2,4-dioxo-1H-pyrimidin-6-yl)propanamide is CCCCn1c(=O)cc(C(C)C(N)=O)[nH]c1=O.
What is the InChIKey of 2-(3-butyl-2,4-dioxo-1H-pyrimidin-6-yl)propanamide?
The InChIKey is MOPOBRMTCKQKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-4-5-14-9(15)6-8(13-11(14)17)7(2)10(12)16/h6-7H,3-5H2,1-2H3,(H2,12,16)(H,13,17).
What are the key properties of 2-(3-butyl-2,4-dioxo-1H-pyrimidin-6-yl)propanamide?
2-(3-butyl-2,4-dioxo-1H-pyrimidin-6-yl)propanamide has a molecular weight of 239.27 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-2,4-dioxo-1H-pyrimidin-6-yl)propanamide is sourced from PubChem (CID 71019134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).