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

C13H19N3O4 — CID 65113997

IUPAC2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NCC1(O)CCCCC1
InChIInChI=1S/C13H19N3O4/c17-10(6-9-7-11(18)16-12(19)15-9)14-8-13(20)4-2-1-3-5-13/h7,20H,1-6,8H2,(H,14,17)(H2,15,16,18,19)
InChIKeyHMPAYKRSEMXLNX-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.58
Rot. Bonds4

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

2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide (PubChem CID 65113997) 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-hydroxycyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
PubChem CID65113997
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NCC1(O)CCCCC1
InChIInChI=1S/C13H19N3O4/c17-10(6-9-7-11(18)16-12(19)15-9)14-8-13(20)4-2-1-3-5-13/h7,20H,1-6,8H2,(H,14,17)(H2,15,16,18,19)
InChIKeyHMPAYKRSEMXLNX-UHFFFAOYSA-N
XLogP-0.58
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
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-hydroxycyclohexyl)methyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide (CID 65113997) is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)NCC1(O)CCCCC1.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide?
The InChIKey is HMPAYKRSEMXLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c17-10(6-9-7-11(18)16-12(19)15-9)14-8-13(20)4-2-1-3-5-13/h7,20H,1-6,8H2,(H,14,17)(H2,15,16,18,19).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide?
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide has a molecular weight of 281.31 g/mol, XLogP of -0.58, 4 rotatable bonds, 4 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-hydroxycyclohexyl)methyl]acetamide is sourced from PubChem (CID 65113997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).