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

C14H21N3O3 — CID 43392976

IUPAC2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxycyclohexyl)acetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NC1CCC(O)CC1
InChIInChI=1S/C14H21N3O3/c1-8-12(9(2)16-14(20)15-8)7-13(19)17-10-3-5-11(18)6-4-10/h10-11,18H,3-7H2,1-2H3,(H,17,19)(H,15,16,20)
InChIKeyXWOHLZVXXXWVIK-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.35
Rot. Bonds3

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

2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxycyclohexyl)acetamide (PubChem CID 43392976) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxycyclohexyl)acetamide
PubChem CID43392976
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxycyclohexyl)acetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NC1CCC(O)CC1
InChIInChI=1S/C14H21N3O3/c1-8-12(9(2)16-14(20)15-8)7-13(19)17-10-3-5-11(18)6-4-10/h10-11,18H,3-7H2,1-2H3,(H,17,19)(H,15,16,20)
InChIKeyXWOHLZVXXXWVIK-UHFFFAOYSA-N
XLogP0.35
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.35
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-(4-hydroxycyclohexyl)acetamide?
The IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxycyclohexyl)acetamide (CID 43392976) is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxycyclohexyl)acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxycyclohexyl)acetamide?
The canonical SMILES for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxycyclohexyl)acetamide is Cc1nc(=O)[nH]c(C)c1CC(=O)NC1CCC(O)CC1.
What is the InChIKey of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxycyclohexyl)acetamide?
The InChIKey is XWOHLZVXXXWVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-8-12(9(2)16-14(20)15-8)7-13(19)17-10-3-5-11(18)6-4-10/h10-11,18H,3-7H2,1-2H3,(H,17,19)(H,15,16,20).
What are the key properties of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxycyclohexyl)acetamide?
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxycyclohexyl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 0.35, 3 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-(4-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 43392976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).