3-[(5-bromopyrimidin-2-yl)amino]propanamide

C7H9BrN4O — CID 63872635

IUPAC3-[(5-bromopyrimidin-2-yl)amino]propanamide
SMILESNC(=O)CCNc1ncc(Br)cn1
InChIInChI=1S/C7H9BrN4O/c8-5-3-11-7(12-4-5)10-2-1-6(9)13/h3-4H,1-2H2,(H2,9,13)(H,10,11,12)
InChIKeyVRRMKJRHMSRXSI-UHFFFAOYSA-N
MW245.08 g/mol
LogP0.53
Rot. Bonds4

About 3-[(5-bromopyrimidin-2-yl)amino]propanamide

3-[(5-bromopyrimidin-2-yl)amino]propanamide (PubChem CID 63872635) has the molecular formula C7H9BrN4O and a molecular weight of 245.08 g/mol. Its IUPAC name is 3-[(5-bromopyrimidin-2-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(5-bromopyrimidin-2-yl)amino]propanamide
PubChem CID63872635
Molecular FormulaC7H9BrN4O
Molecular Weight245.08 g/mol
Exact Mass244.00
IUPAC Name3-[(5-bromopyrimidin-2-yl)amino]propanamide
SMILESNC(=O)CCNc1ncc(Br)cn1
InChIInChI=1S/C7H9BrN4O/c8-5-3-11-7(12-4-5)10-2-1-6(9)13/h3-4H,1-2H2,(H2,9,13)(H,10,11,12)
InChIKeyVRRMKJRHMSRXSI-UHFFFAOYSA-N
XLogP0.53
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromopyrimidin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 115619264
3-[(4,5-dimethylpyrimidin-2-yl)amino]propanamide
CID 131020900
3-[(5-bromopyrimidin-2-yl)amino]-N-butan-2-ylpropanamide
CID 63872452
(2S)-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol
CID 131107121
N'-(5-bromopyrimidin-2-yl)hexane-1,6-diamine
CID 107844829
6-[(5-bromopyrimidin-2-yl)amino]hexan-1-ol
CID 103918084
5-[(5-bromopyrimidin-2-yl)amino]pentan-2-ol
CID 107269196
3-(4-bromoanilino)propanamide;ethane
CID 169234714
tert-butyl N-[3-[(5-bromopyrimidin-2-yl)amino]propyl]carbamate
CID 115619288
2-[(5-bromopyrimidin-2-yl)amino]-N-propylacetamide
CID 63872824
3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80787750
5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]pentanamide
CID 106241957

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromopyrimidin-2-yl)amino]propanamide?
The IUPAC name of 3-[(5-bromopyrimidin-2-yl)amino]propanamide (CID 63872635) is 3-[(5-bromopyrimidin-2-yl)amino]propanamide.
What is the SMILES notation for 3-[(5-bromopyrimidin-2-yl)amino]propanamide?
The canonical SMILES for 3-[(5-bromopyrimidin-2-yl)amino]propanamide is NC(=O)CCNc1ncc(Br)cn1.
What is the InChIKey of 3-[(5-bromopyrimidin-2-yl)amino]propanamide?
The InChIKey is VRRMKJRHMSRXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN4O/c8-5-3-11-7(12-4-5)10-2-1-6(9)13/h3-4H,1-2H2,(H2,9,13)(H,10,11,12).
What are the key properties of 3-[(5-bromopyrimidin-2-yl)amino]propanamide?
3-[(5-bromopyrimidin-2-yl)amino]propanamide has a molecular weight of 245.08 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromopyrimidin-2-yl)amino]propanamide is sourced from PubChem (CID 63872635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).