2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide

C13H19N3O4 — CID 114951205

IUPAC2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
SMILESCN(CC1(O)CCCC1)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C13H19N3O4/c1-16(8-13(20)4-2-3-5-13)11(18)7-9-6-10(17)15-12(19)14-9/h6,20H,2-5,7-8H2,1H3,(H2,14,15,17,19)
InChIKeyHYLNYOCYOANUJL-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.63
Rot. Bonds4

About 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide

2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide (PubChem CID 114951205) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
PubChem CID114951205
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
SMILESCN(CC1(O)CCCC1)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C13H19N3O4/c1-16(8-13(20)4-2-3-5-13)11(18)7-9-6-10(17)15-12(19)14-9/h6,20H,2-5,7-8H2,1H3,(H2,14,15,17,19)
InChIKeyHYLNYOCYOANUJL-UHFFFAOYSA-N
XLogP-0.63
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide (CID 114951205) is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide is CN(CC1(O)CCCC1)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide?
The InChIKey is HYLNYOCYOANUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-16(8-13(20)4-2-3-5-13)11(18)7-9-6-10(17)15-12(19)14-9/h6,20H,2-5,7-8H2,1H3,(H2,14,15,17,19).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide?
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide has a molecular weight of 281.31 g/mol, XLogP of -0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide is sourced from PubChem (CID 114951205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).