N-cyclopentyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide

C12H17N3O2 — CID 45496937

IUPACN-cyclopentyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)NC2CCCC2)cn1
InChIInChI=1S/C12H17N3O2/c1-9-6-12(17)15(8-13-9)7-11(16)14-10-4-2-3-5-10/h6,8,10H,2-5,7H2,1H3,(H,14,16)
InChIKeyQHVWYORWLAGIFE-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.61
Rot. Bonds3

About N-cyclopentyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide

N-cyclopentyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 45496937) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID45496937
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-cyclopentyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)NC2CCCC2)cn1
InChIInChI=1S/C12H17N3O2/c1-9-6-12(17)15(8-13-9)7-11(16)14-10-4-2-3-5-10/h6,8,10H,2-5,7H2,1H3,(H,14,16)
InChIKeyQHVWYORWLAGIFE-UHFFFAOYSA-N
XLogP0.61
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(sec-butyl)-2-(6-oxo-4-propylpyrimidin-1(6H)-yl)acetamide
CID 44069720
N-cyclopentyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetamide
CID 127267061
N-cyclohexyl-2-(4-isopropyl-6-oxopyrimidin-1(6H)-yl)acetamide
CID 45496971
N-cyclohexyl-2-(4-methyl-6-oxopyrimidin-1(6H)-yl)acetamide
CID 45534909
2-(6-oxo-4-propylpyrimidin-1(6H)-yl)-N-propylacetamide
CID 45535120
N-cyclopentyl-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide
CID 56764424
4-[(1-piperidin-1-ylpropan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 135906347
N-cyclopentyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide
CID 136761451
2-amino-N-cyclopentyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 136400583
N-octyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide
CID 136509089
N-hexyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide
CID 136592186
N-heptyl-2-(5-oxo-1H-imidazol-4-ylidene)acetamide
CID 136626163

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide (CID 45496937) is N-cyclopentyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide is Cc1cc(=O)n(CC(=O)NC2CCCC2)cn1.
What is the InChIKey of N-cyclopentyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is QHVWYORWLAGIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-6-12(17)15(8-13-9)7-11(16)14-10-4-2-3-5-10/h6,8,10H,2-5,7H2,1H3,(H,14,16).
What are the key properties of N-cyclopentyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
N-cyclopentyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 235.29 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 45496937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).