2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide

C14H23N3O3 — CID 135896964

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCc1nc(C)c(CC(=O)NCCCOC(C)C)c(=O)[nH]1
InChIInChI=1S/C14H23N3O3/c1-9(2)20-7-5-6-15-13(18)8-12-10(3)16-11(4)17-14(12)19/h9H,5-8H2,1-4H3,(H,15,18)(H,16,17,19)
InChIKeyFIFPBRKIGKXDTJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.86
Rot. Bonds7

About 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 135896964) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID135896964
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCc1nc(C)c(CC(=O)NCCCOC(C)C)c(=O)[nH]1
InChIInChI=1S/C14H23N3O3/c1-9(2)20-7-5-6-15-13(18)8-12-10(3)16-11(4)17-14(12)19/h9H,5-8H2,1-4H3,(H,15,18)(H,16,17,19)
InChIKeyFIFPBRKIGKXDTJ-UHFFFAOYSA-N
XLogP0.86
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)acetamide
CID 135896886
2-ethyl-5-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one
CID 136849634
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutyl)acetamide
CID 135896967
3-(3-Ethoxypropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483668
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-ethylacetamide
CID 135896882
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-propylacetamide
CID 135896883
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide
CID 135896884
N-butyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 135896885
N-[(2R)-butan-2-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 135896887
N-[(2S)-butan-2-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 135896888
N-cyclopropyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 135896890
N-cyclopentyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 135896891

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide (CID 135896964) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide is Cc1nc(C)c(CC(=O)NCCCOC(C)C)c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is FIFPBRKIGKXDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-9(2)20-7-5-6-15-13(18)8-12-10(3)16-11(4)17-14(12)19/h9H,5-8H2,1-4H3,(H,15,18)(H,16,17,19).
What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 281.36 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 135896964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).