N-(cyclohexen-1-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide

C16H23N3O2 — CID 56740530

IUPACN-(cyclohexen-1-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)NCC1=CCCCC1
InChIInChI=1S/C16H23N3O2/c1-11-14(12(2)19-16(21)18-11)8-9-15(20)17-10-13-6-4-3-5-7-13/h6H,3-5,7-10H2,1-2H3,(H,17,20)(H,18,19,21)
InChIKeyMCHIGLHKINBFAO-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.94
Rot. Bonds5

About N-(cyclohexen-1-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide

N-(cyclohexen-1-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 56740530) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(cyclohexen-1-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(cyclohexen-1-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
PubChem CID56740530
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(cyclohexen-1-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)NCC1=CCCCC1
InChIInChI=1S/C16H23N3O2/c1-11-14(12(2)19-16(21)18-11)8-9-15(20)17-10-13-6-4-3-5-7-13/h6H,3-5,7-10H2,1-2H3,(H,17,20)(H,18,19,21)
InChIKeyMCHIGLHKINBFAO-UHFFFAOYSA-N
XLogP1.94
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-(cyclohexen-1-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide (CID 56740530) is N-(cyclohexen-1-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(cyclohexen-1-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-(cyclohexen-1-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide is Cc1nc(=O)[nH]c(C)c1CCC(=O)NCC1=CCCCC1.
What is the InChIKey of N-(cyclohexen-1-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is MCHIGLHKINBFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-14(12(2)19-16(21)18-11)8-9-15(20)17-10-13-6-4-3-5-7-13/h6H,3-5,7-10H2,1-2H3,(H,17,20)(H,18,19,21).
What are the key properties of N-(cyclohexen-1-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide?
N-(cyclohexen-1-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 289.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 56740530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).