4-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylbutanamide

C9H12BrN3O3 — CID 107104246

IUPAC4-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylbutanamide
SMILESCNC(=O)CCCn1c(=O)[nH]cc(Br)c1=O
InChIInChI=1S/C9H12BrN3O3/c1-11-7(14)3-2-4-13-8(15)6(10)5-12-9(13)16/h5H,2-4H2,1H3,(H,11,14)(H,12,16)
InChIKeyMJNDQHDCCPMRGO-UHFFFAOYSA-N
MW290.12 g/mol
LogP-0.17
Rot. Bonds4

About 4-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylbutanamide

4-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylbutanamide (PubChem CID 107104246) has the molecular formula C9H12BrN3O3 and a molecular weight of 290.12 g/mol. Its IUPAC name is 4-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylbutanamide.

Molecular Properties

Compound Name4-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylbutanamide
PubChem CID107104246
Molecular FormulaC9H12BrN3O3
Molecular Weight290.12 g/mol
Exact Mass289.01
IUPAC Name4-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylbutanamide
SMILESCNC(=O)CCCn1c(=O)[nH]cc(Br)c1=O
InChIInChI=1S/C9H12BrN3O3/c1-11-7(14)3-2-4-13-8(15)6(10)5-12-9(13)16/h5H,2-4H2,1H3,(H,11,14)(H,12,16)
InChIKeyMJNDQHDCCPMRGO-UHFFFAOYSA-N
XLogP-0.17
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylbutanamide?
The IUPAC name of 4-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylbutanamide (CID 107104246) is 4-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylbutanamide.
What is the SMILES notation for 4-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylbutanamide?
The canonical SMILES for 4-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylbutanamide is CNC(=O)CCCn1c(=O)[nH]cc(Br)c1=O.
What is the InChIKey of 4-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylbutanamide?
The InChIKey is MJNDQHDCCPMRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O3/c1-11-7(14)3-2-4-13-8(15)6(10)5-12-9(13)16/h5H,2-4H2,1H3,(H,11,14)(H,12,16).
What are the key properties of 4-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylbutanamide?
4-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylbutanamide has a molecular weight of 290.12 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylbutanamide is sourced from PubChem (CID 107104246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).