3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanamide

C9H14N4O3 — CID 136977320

IUPAC3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
SMILESCOc1c(NC(C)CC(N)=O)nc[nH]c1=O
InChIInChI=1S/C9H14N4O3/c1-5(3-6(10)14)13-8-7(16-2)9(15)12-4-11-8/h4-5H,3H2,1-2H3,(H2,10,14)(H2,11,12,13,15)
InChIKeyGCBJQNFFVDVWOW-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.55
Rot. Bonds5

About 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanamide

3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanamide (PubChem CID 136977320) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanamide.

Molecular Properties

Compound Name3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
PubChem CID136977320
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
SMILESCOc1c(NC(C)CC(N)=O)nc[nH]c1=O
InChIInChI=1S/C9H14N4O3/c1-5(3-6(10)14)13-8-7(16-2)9(15)12-4-11-8/h4-5H,3H2,1-2H3,(H2,10,14)(H2,11,12,13,15)
InChIKeyGCBJQNFFVDVWOW-UHFFFAOYSA-N
XLogP-0.55
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136949437
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 136974783
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbutanoic acid
CID 136972381
N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 137016272
N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide
CID 136980716
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136972316
5-methoxy-4-(1-pyrazol-1-ylpropan-2-ylamino)-1H-pyrimidin-6-one
CID 137016246
3-[(2-oxo-1H-pyrazin-3-yl)amino]butanamide
CID 115685000
4-(1-cyclopropylethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136973988
4-[1-(4-aminophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136979130
5-methoxy-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-1H-pyrimidin-6-one
CID 136817732
4-[(2-hydroxy-3-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136977261

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
The IUPAC name of 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanamide (CID 136977320) is 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanamide.
What is the SMILES notation for 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
The canonical SMILES for 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanamide is COc1c(NC(C)CC(N)=O)nc[nH]c1=O.
What is the InChIKey of 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
The InChIKey is GCBJQNFFVDVWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-5(3-6(10)14)13-8-7(16-2)9(15)12-4-11-8/h4-5H,3H2,1-2H3,(H2,10,14)(H2,11,12,13,15).
What are the key properties of 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanamide has a molecular weight of 226.24 g/mol, XLogP of -0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanamide is sourced from PubChem (CID 136977320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).