N-cyclohexyl-2-(2,4-dioxo-1H-pyrimidin-3-yl)acetamide

C12H17N3O3 — CID 103603459

IUPACN-cyclohexyl-2-(2,4-dioxo-1H-pyrimidin-3-yl)acetamide
SMILESO=C(Cn1c(=O)cc[nH]c1=O)NC1CCCCC1
InChIInChI=1S/C12H17N3O3/c16-10(14-9-4-2-1-3-5-9)8-15-11(17)6-7-13-12(15)18/h6-7,9H,1-5,8H2,(H,13,18)(H,14,16)
InChIKeyOFEFSJFBPIULFJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.01
Rot. Bonds3

About N-cyclohexyl-2-(2,4-dioxo-1H-pyrimidin-3-yl)acetamide

N-cyclohexyl-2-(2,4-dioxo-1H-pyrimidin-3-yl)acetamide (PubChem CID 103603459) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-cyclohexyl-2-(2,4-dioxo-1H-pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2,4-dioxo-1H-pyrimidin-3-yl)acetamide
PubChem CID103603459
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-cyclohexyl-2-(2,4-dioxo-1H-pyrimidin-3-yl)acetamide
SMILESO=C(Cn1c(=O)cc[nH]c1=O)NC1CCCCC1
InChIInChI=1S/C12H17N3O3/c16-10(14-9-4-2-1-3-5-9)8-15-11(17)6-7-13-12(15)18/h6-7,9H,1-5,8H2,(H,13,18)(H,14,16)
InChIKeyOFEFSJFBPIULFJ-UHFFFAOYSA-N
XLogP-0.01
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-[4-(2-oxo-1H-pyridin-4-yl)piperidin-1-yl]acetamide
CID 138386265
N-cycloheptyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide
CID 3239877
N-cyclopentyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide
CID 4647526
N-cycloheptyl-2-(3-methyl-2-oxoquinolin-1-yl)acetamide
CID 110680359
N-(4-hydroxycyclohexyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 110895299
N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 22110617
2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(oxan-4-yl)acetamide
CID 107104248
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide
CID 114581619
N-cyclooctyl-2-(5-methoxy-2,4-dioxopyrimidin-1-yl)acetamide
CID 154787984
2-(3-acetamido-6-methyl-2-oxo-1-pyridinyl)-N-cycloheptylacetamide
CID 87050345
N-cycloheptyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 60734726
N-cycloheptyl-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 51138945

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2,4-dioxo-1H-pyrimidin-3-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(2,4-dioxo-1H-pyrimidin-3-yl)acetamide (CID 103603459) is N-cyclohexyl-2-(2,4-dioxo-1H-pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(2,4-dioxo-1H-pyrimidin-3-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(2,4-dioxo-1H-pyrimidin-3-yl)acetamide is O=C(Cn1c(=O)cc[nH]c1=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(2,4-dioxo-1H-pyrimidin-3-yl)acetamide?
The InChIKey is OFEFSJFBPIULFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-10(14-9-4-2-1-3-5-9)8-15-11(17)6-7-13-12(15)18/h6-7,9H,1-5,8H2,(H,13,18)(H,14,16).
What are the key properties of N-cyclohexyl-2-(2,4-dioxo-1H-pyrimidin-3-yl)acetamide?
N-cyclohexyl-2-(2,4-dioxo-1H-pyrimidin-3-yl)acetamide has a molecular weight of 251.29 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2,4-dioxo-1H-pyrimidin-3-yl)acetamide is sourced from PubChem (CID 103603459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).