3-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide

C10H12BrN3O2 — CID 66309358

IUPAC3-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
SMILESO=C(CCn1cncc(Br)c1=O)NC1CC1
InChIInChI=1S/C10H12BrN3O2/c11-8-5-12-6-14(10(8)16)4-3-9(15)13-7-1-2-7/h5-7H,1-4H2,(H,13,15)
InChIKeyNXVFNCKUPULVLZ-UHFFFAOYSA-N
MW286.13 g/mol
LogP0.67
Rot. Bonds4

About 3-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide

3-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide (PubChem CID 66309358) has the molecular formula C10H12BrN3O2 and a molecular weight of 286.13 g/mol. Its IUPAC name is 3-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
PubChem CID66309358
Molecular FormulaC10H12BrN3O2
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name3-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
SMILESO=C(CCn1cncc(Br)c1=O)NC1CC1
InChIInChI=1S/C10H12BrN3O2/c11-8-5-12-6-14(10(8)16)4-3-9(15)13-7-1-2-7/h5-7H,1-4H2,(H,13,15)
InChIKeyNXVFNCKUPULVLZ-UHFFFAOYSA-N
XLogP0.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 50.67
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-cyclopropylpropanamide?
The IUPAC name of 3-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide (CID 66309358) is 3-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide.
What is the SMILES notation for 3-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide?
The canonical SMILES for 3-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide is O=C(CCn1cncc(Br)c1=O)NC1CC1.
What is the InChIKey of 3-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide?
The InChIKey is NXVFNCKUPULVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2/c11-8-5-12-6-14(10(8)16)4-3-9(15)13-7-1-2-7/h5-7H,1-4H2,(H,13,15).
What are the key properties of 3-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide?
3-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide has a molecular weight of 286.13 g/mol, XLogP of 0.67, 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-cyclopropylpropanamide is sourced from PubChem (CID 66309358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).