2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide

C13H21N3O3 — CID 43573554

IUPAC2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N(CCO)C(C)C
InChIInChI=1S/C13H21N3O3/c1-8(2)16(5-6-17)12(18)7-11-9(3)14-13(19)15-10(11)4/h8,17H,5-7H2,1-4H3,(H,14,15,19)
InChIKeyDXUQCICFYKMIIM-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.16
Rot. Bonds5

About 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide

2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide (PubChem CID 43573554) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
PubChem CID43573554
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N(CCO)C(C)C
InChIInChI=1S/C13H21N3O3/c1-8(2)16(5-6-17)12(18)7-11-9(3)14-13(19)15-10(11)4/h8,17H,5-7H2,1-4H3,(H,14,15,19)
InChIKeyDXUQCICFYKMIIM-UHFFFAOYSA-N
XLogP0.16
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 105648694
N-(3,3-difluoro-2-hydroxypropyl)-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide
CID 105649075
N-(2,2-difluoro-3-hydroxypropyl)-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide
CID 106167923
N-(2,2-difluoroethyl)-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)acetamide
CID 107482616
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 107483374
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]acetic acid
CID 43356374
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)acetamide
CID 43393618
5-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 43416397
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)acetamide
CID 43500358
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 43500431
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43500657
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43501063

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide (CID 43573554) is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide is Cc1nc(=O)[nH]c(C)c1CC(=O)N(CCO)C(C)C.
What is the InChIKey of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
The InChIKey is DXUQCICFYKMIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-8(2)16(5-6-17)12(18)7-11-9(3)14-13(19)15-10(11)4/h8,17H,5-7H2,1-4H3,(H,14,15,19).
What are the key properties of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide has a molecular weight of 267.33 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 43573554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).