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

C14H23N3O3 — CID 61039456

IUPAC2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N(CCCO)C(C)C
InChIInChI=1S/C14H23N3O3/c1-9(2)17(6-5-7-18)13(19)8-12-10(3)15-14(20)16-11(12)4/h9,18H,5-8H2,1-4H3,(H,15,16,20)
InChIKeyJZENPONXWPRDFF-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.55
Rot. Bonds6

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

2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide (PubChem CID 61039456) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
PubChem CID61039456
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N(CCCO)C(C)C
InChIInChI=1S/C14H23N3O3/c1-9(2)17(6-5-7-18)13(19)8-12-10(3)15-14(20)16-11(12)4/h9,18H,5-8H2,1-4H3,(H,15,16,20)
InChIKeyJZENPONXWPRDFF-UHFFFAOYSA-N
XLogP0.55
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.55
H-Bond Donors ≤ 52
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-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide (CID 61039456) is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide is Cc1nc(=O)[nH]c(C)c1CC(=O)N(CCCO)C(C)C.
What is the InChIKey of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The InChIKey is JZENPONXWPRDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-9(2)17(6-5-7-18)13(19)8-12-10(3)15-14(20)16-11(12)4/h9,18H,5-8H2,1-4H3,(H,15,16,20).
What are the key properties of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide has a molecular weight of 281.36 g/mol, XLogP of 0.55, 6 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-(3-hydroxypropyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 61039456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).