3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide

C9H13BrN4O2 — CID 136914196

IUPAC3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H13BrN4O2/c1-11-6(15)3-4-14(2)8-7(10)9(16)13-5-12-8/h5H,3-4H2,1-2H3,(H,11,15)(H,12,13,16)
InChIKeyAHXIIQDEGGZTBC-UHFFFAOYSA-N
MW289.13 g/mol
LogP0.10
Rot. Bonds4

About 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide

3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide (PubChem CID 136914196) has the molecular formula C9H13BrN4O2 and a molecular weight of 289.13 g/mol. Its IUPAC name is 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide
PubChem CID136914196
Molecular FormulaC9H13BrN4O2
Molecular Weight289.13 g/mol
Exact Mass288.02
IUPAC Name3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H13BrN4O2/c1-11-6(15)3-4-14(2)8-7(10)9(16)13-5-12-8/h5H,3-4H2,1-2H3,(H,11,15)(H,12,13,16)
InChIKeyAHXIIQDEGGZTBC-UHFFFAOYSA-N
XLogP0.10
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
CID 66308140
1(6H)-Pyrimidinepropanamide, 5-bromo-N-methyl-6-oxo-
CID 66308300
3-(5-bromo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 66309357
3-(5-bromo-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 66310208
3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 66310259
3-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide
CID 114583611
3-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114583659
3-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 114583712
3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136671882
4-(5-aminopentylamino)-5-bromo-1H-pyrimidin-6-one
CID 136689849
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide
CID 136713545
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 136713576

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide (CID 136914196) is 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1nc[nH]c(=O)c1Br.
What is the InChIKey of 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide?
The InChIKey is AHXIIQDEGGZTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O2/c1-11-6(15)3-4-14(2)8-7(10)9(16)13-5-12-8/h5H,3-4H2,1-2H3,(H,11,15)(H,12,13,16).
What are the key properties of 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide?
3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide has a molecular weight of 289.13 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide is sourced from PubChem (CID 136914196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).