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

C15H25N3O3 — CID 66181059

IUPAC2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NCC(C)(O)CC(C)C
InChIInChI=1S/C15H25N3O3/c1-9(2)7-15(5,21)8-16-13(19)6-12-10(3)17-14(20)18-11(12)4/h9,21H,6-8H2,1-5H3,(H,16,19)(H,17,18,20)
InChIKeyASKFSMJYNGPSGZ-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.84
Rot. Bonds6

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

2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide (PubChem CID 66181059) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
PubChem CID66181059
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NCC(C)(O)CC(C)C
InChIInChI=1S/C15H25N3O3/c1-9(2)7-15(5,21)8-16-13(19)6-12-10(3)17-14(20)18-11(12)4/h9,21H,6-8H2,1-5H3,(H,16,19)(H,17,18,20)
InChIKeyASKFSMJYNGPSGZ-UHFFFAOYSA-N
XLogP0.84
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.84
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-(2-hydroxy-2,4-dimethylpentyl)acetamide?
The IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide (CID 66181059) is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide?
The canonical SMILES for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide is Cc1nc(=O)[nH]c(C)c1CC(=O)NCC(C)(O)CC(C)C.
What is the InChIKey of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide?
The InChIKey is ASKFSMJYNGPSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-9(2)7-15(5,21)8-16-13(19)6-12-10(3)17-14(20)18-11(12)4/h9,21H,6-8H2,1-5H3,(H,16,19)(H,17,18,20).
What are the key properties of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide?
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide has a molecular weight of 295.38 g/mol, XLogP of 0.84, 6 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-(2-hydroxy-2,4-dimethylpentyl)acetamide is sourced from PubChem (CID 66181059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).