2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylpropanamide

C10H16N4O3 — CID 136974783

IUPAC2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylpropanamide
SMILESCOc1c(NC(C)C(=O)N(C)C)nc[nH]c1=O
InChIInChI=1S/C10H16N4O3/c1-6(10(16)14(2)3)13-8-7(17-4)9(15)12-5-11-8/h5-6H,1-4H3,(H2,11,12,13,15)
InChIKeyOVKRZRUGACAFNR-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.33
Rot. Bonds4

About 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylpropanamide

2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylpropanamide (PubChem CID 136974783) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylpropanamide
PubChem CID136974783
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylpropanamide
SMILESCOc1c(NC(C)C(=O)N(C)C)nc[nH]c1=O
InChIInChI=1S/C10H16N4O3/c1-6(10(16)14(2)3)13-8-7(17-4)9(15)12-5-11-8/h5-6H,1-4H3,(H2,11,12,13,15)
InChIKeyOVKRZRUGACAFNR-UHFFFAOYSA-N
XLogP-0.33
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide
CID 136980716
N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 137016272
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbutanoic acid
CID 136972381
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136977320
4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136949437
4-(1-cyclopropylethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136973988
N,N-dimethyl-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide
CID 115898862
3-[2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 136976704
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136972316
4-[1-(4-chlorophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136974912
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

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylpropanamide (CID 136974783) is 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylpropanamide is COc1c(NC(C)C(=O)N(C)C)nc[nH]c1=O.
What is the InChIKey of 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is OVKRZRUGACAFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-6(10(16)14(2)3)13-8-7(17-4)9(15)12-5-11-8/h5-6H,1-4H3,(H2,11,12,13,15).
What are the key properties of 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 240.26 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 136974783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).