N-(1-methyl-6-oxopyrimidin-5-yl)propanamide

C8H11N3O2 — CID 170387111

IUPACN-(1-methyl-6-oxopyrimidin-5-yl)propanamide
SMILESCCC(=O)Nc1cncn(C)c1=O
InChIInChI=1S/C8H11N3O2/c1-3-7(12)10-6-4-9-5-11(2)8(6)13/h4-5H,3H2,1-2H3,(H,10,12)
InChIKeyKRSTXZZXQLBBIC-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.13
Rot. Bonds2

About N-(1-methyl-6-oxopyrimidin-5-yl)propanamide

N-(1-methyl-6-oxopyrimidin-5-yl)propanamide (PubChem CID 170387111) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-(1-methyl-6-oxopyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(1-methyl-6-oxopyrimidin-5-yl)propanamide
PubChem CID170387111
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN-(1-methyl-6-oxopyrimidin-5-yl)propanamide
SMILESCCC(=O)Nc1cncn(C)c1=O
InChIInChI=1S/C8H11N3O2/c1-3-7(12)10-6-4-9-5-11(2)8(6)13/h4-5H,3H2,1-2H3,(H,10,12)
InChIKeyKRSTXZZXQLBBIC-UHFFFAOYSA-N
XLogP0.13
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-methyl-6-oxo-2-(trifluoromethyl)pyrimidin-5-yl]propanamide
CID 170387113
2-Methyl-5-(methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one
CID 20671584
5-(Methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one
CID 54078362
5-(dimethylamino)-2-methyl-1H-pyrimidin-6-one
CID 57597120
N-ethyl-2-[2-methyl-5-(methylamino)-6-oxopyrimidin-1-yl]acetamide
CID 60084806
5-(butylamino)-1H-pyrimidin-6-one
CID 68741569
acetamide;5-amino-1H-pyrimidin-6-one
CID 69460116
2-(5-Amino-6-oxopyrimidin-1-yl)acetamide
CID 69460118
5-Amino-3-ethyl-3,4-dihydropyrimidin-4-one hydrochloride
CID 121553549
5-Amino-3-ethyl-3,4-dihydropyrimidin-4-one
CID 121553550
3-methyl-N-(6-oxo-1H-pyrimidin-5-yl)butanamide
CID 130219534
N-(6-oxo-1H-pyrimidin-5-yl)propanamide
CID 130249193

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-6-oxopyrimidin-5-yl)propanamide?
The IUPAC name of N-(1-methyl-6-oxopyrimidin-5-yl)propanamide (CID 170387111) is N-(1-methyl-6-oxopyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(1-methyl-6-oxopyrimidin-5-yl)propanamide?
The canonical SMILES for N-(1-methyl-6-oxopyrimidin-5-yl)propanamide is CCC(=O)Nc1cncn(C)c1=O.
What is the InChIKey of N-(1-methyl-6-oxopyrimidin-5-yl)propanamide?
The InChIKey is KRSTXZZXQLBBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-3-7(12)10-6-4-9-5-11(2)8(6)13/h4-5H,3H2,1-2H3,(H,10,12).
What are the key properties of N-(1-methyl-6-oxopyrimidin-5-yl)propanamide?
N-(1-methyl-6-oxopyrimidin-5-yl)propanamide has a molecular weight of 181.19 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-6-oxopyrimidin-5-yl)propanamide is sourced from PubChem (CID 170387111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).