3-cyclohexyl-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide

C16H25N3O2 — CID 122302583

IUPAC3-cyclohexyl-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide
SMILESCOc1nc(C)c(NC(=O)CCC2CCCCC2)c(C)n1
InChIInChI=1S/C16H25N3O2/c1-11-15(12(2)18-16(17-11)21-3)19-14(20)10-9-13-7-5-4-6-8-13/h13H,4-10H2,1-3H3,(H,19,20)
InChIKeyHPZSWUYDFLLGSE-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.40
Rot. Bonds5

About 3-cyclohexyl-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide

3-cyclohexyl-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide (PubChem CID 122302583) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-cyclohexyl-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide
PubChem CID122302583
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-cyclohexyl-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide
SMILESCOc1nc(C)c(NC(=O)CCC2CCCCC2)c(C)n1
InChIInChI=1S/C16H25N3O2/c1-11-15(12(2)18-16(17-11)21-3)19-14(20)10-9-13-7-5-4-6-8-13/h13H,4-10H2,1-3H3,(H,19,20)
InChIKeyHPZSWUYDFLLGSE-UHFFFAOYSA-N
XLogP3.40
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(3-cyclopentylpropanoylamino)-1,3-dimethylpyrazole-5-carboxylate
CID 95749047
methyl 4-(3-cyclohexylpropanoylamino)-1,5-dimethylpyrazole-3-carboxylate
CID 95748419
3-cyclopentyl-N-(4-methoxyphenyl)propanamide
CID 835546
3-cyclopentyl-N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]propanamide
CID 1026826
4-cyclohexyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
CID 43399158
N-(5-amino-4-methyl-2-pyridinyl)-3-cyclohexylpropanamide
CID 61293878
3-cyclopentyl-N-(2,5-dimethylpyrazol-3-yl)propanamide
CID 35291168
methyl 4-(3-cyclohexylpropanoylamino)-3-methylbenzoate
CID 38091591
N-(4-acetyl-1,3-thiazol-2-yl)-3-cyclohexylpropanamide
CID 24634046
3-cyclopentyl-N-[2-(7,8-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyrimidin-5-yl]propanamide
CID 59868801
3-cyclohexyl-N-(4-sulfanylphenyl)propanamide
CID 27125888
3-cyclohexyl-N-[5-(2,2-dimethylpropyl)-1,2-oxazol-3-yl]propanamide
CID 110185847

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide (CID 122302583) is 3-cyclohexyl-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide is COc1nc(C)c(NC(=O)CCC2CCCCC2)c(C)n1.
What is the InChIKey of 3-cyclohexyl-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide?
The InChIKey is HPZSWUYDFLLGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11-15(12(2)18-16(17-11)21-3)19-14(20)10-9-13-7-5-4-6-8-13/h13H,4-10H2,1-3H3,(H,19,20).
What are the key properties of 3-cyclohexyl-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide?
3-cyclohexyl-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide has a molecular weight of 291.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide is sourced from PubChem (CID 122302583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).