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

C12H17N3O4 — CID 62365630

IUPAC2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxycyclohexyl)acetamide
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NC1CCCCC1O
InChIInChI=1S/C12H17N3O4/c16-9-4-2-1-3-8(9)14-10(17)5-7-6-11(18)15-12(19)13-7/h6,8-9,16H,1-5H2,(H,14,17)(H2,13,15,18,19)
InChIKeyKSNIOWDGXBPEKP-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.97
Rot. Bonds3

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

2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxycyclohexyl)acetamide (PubChem CID 62365630) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxycyclohexyl)acetamide
PubChem CID62365630
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxycyclohexyl)acetamide
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NC1CCCCC1O
InChIInChI=1S/C12H17N3O4/c16-9-4-2-1-3-8(9)14-10(17)5-7-6-11(18)15-12(19)13-7/h6,8-9,16H,1-5H2,(H,14,17)(H2,13,15,18,19)
InChIKeyKSNIOWDGXBPEKP-UHFFFAOYSA-N
XLogP-0.97
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.97
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-(2-hydroxycyclohexyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxycyclohexyl)acetamide (CID 62365630) is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxycyclohexyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxycyclohexyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxycyclohexyl)acetamide is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)NC1CCCCC1O.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxycyclohexyl)acetamide?
The InChIKey is KSNIOWDGXBPEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c16-9-4-2-1-3-8(9)14-10(17)5-7-6-11(18)15-12(19)13-7/h6,8-9,16H,1-5H2,(H,14,17)(H2,13,15,18,19).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxycyclohexyl)acetamide?
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxycyclohexyl)acetamide has a molecular weight of 267.28 g/mol, XLogP of -0.97, 3 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-(2-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 62365630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).