3-(5-bromo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide

C10H14BrN3O2 — CID 66309357

IUPAC3-(5-bromo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCn1cncc(Br)c1=O
InChIInChI=1S/C10H14BrN3O2/c1-7(2)13-9(15)3-4-14-6-12-5-8(11)10(14)16/h5-7H,3-4H2,1-2H3,(H,13,15)
InChIKeyHFBFIHPCXZBWQF-UHFFFAOYSA-N
MW288.14 g/mol
LogP0.92
Rot. Bonds4

About 3-(5-bromo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide

3-(5-bromo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide (PubChem CID 66309357) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is 3-(5-bromo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(5-bromo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
PubChem CID66309357
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name3-(5-bromo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCn1cncc(Br)c1=O
InChIInChI=1S/C10H14BrN3O2/c1-7(2)13-9(15)3-4-14-6-12-5-8(11)10(14)16/h5-7H,3-4H2,1-2H3,(H,13,15)
InChIKeyHFBFIHPCXZBWQF-UHFFFAOYSA-N
XLogP0.92
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(5-bromo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide (CID 66309357) is 3-(5-bromo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(5-bromo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(5-bromo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide is CC(C)NC(=O)CCn1cncc(Br)c1=O.
What is the InChIKey of 3-(5-bromo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide?
The InChIKey is HFBFIHPCXZBWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-7(2)13-9(15)3-4-14-6-12-5-8(11)10(14)16/h5-7H,3-4H2,1-2H3,(H,13,15).
What are the key properties of 3-(5-bromo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide?
3-(5-bromo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide has a molecular weight of 288.14 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 66309357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).