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

C12H19N3O3 — CID 43500431

IUPAC2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxybutan-2-yl)acetamide
SMILESCCC(CO)NC(=O)Cc1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C12H19N3O3/c1-4-9(6-16)15-11(17)5-10-7(2)13-12(18)14-8(10)3/h9,16H,4-6H2,1-3H3,(H,15,17)(H,13,14,18)
InChIKeyIIZCUUDZHDTTDI-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.18
Rot. Bonds5

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

2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxybutan-2-yl)acetamide (PubChem CID 43500431) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxybutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxybutan-2-yl)acetamide
PubChem CID43500431
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxybutan-2-yl)acetamide
SMILESCCC(CO)NC(=O)Cc1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C12H19N3O3/c1-4-9(6-16)15-11(17)5-10-7(2)13-12(18)14-8(10)3/h9,16H,4-6H2,1-3H3,(H,15,17)(H,13,14,18)
InChIKeyIIZCUUDZHDTTDI-UHFFFAOYSA-N
XLogP-0.18
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxybutan-2-yl)acetamide?
The IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxybutan-2-yl)acetamide (CID 43500431) is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxybutan-2-yl)acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxybutan-2-yl)acetamide?
The canonical SMILES for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxybutan-2-yl)acetamide is CCC(CO)NC(=O)Cc1c(C)nc(=O)[nH]c1C.
What is the InChIKey of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxybutan-2-yl)acetamide?
The InChIKey is IIZCUUDZHDTTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-9(6-16)15-11(17)5-10-7(2)13-12(18)14-8(10)3/h9,16H,4-6H2,1-3H3,(H,15,17)(H,13,14,18).
What are the key properties of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxybutan-2-yl)acetamide?
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxybutan-2-yl)acetamide has a molecular weight of 253.30 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 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-(1-hydroxybutan-2-yl)acetamide is sourced from PubChem (CID 43500431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).