N-[6-oxo-4-(4-phenylbutyl)-1H-pyrimidin-2-yl]acetamide

C16H19N3O2 — CID 135483277

IUPACN-[6-oxo-4-(4-phenylbutyl)-1H-pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nc(CCCCc2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C16H19N3O2/c1-12(20)17-16-18-14(11-15(21)19-16)10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10H2,1H3,(H2,17,18,19,20,21)
InChIKeyPVSIOXUQSYWCOP-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.29
Rot. Bonds6

About N-[6-oxo-4-(4-phenylbutyl)-1H-pyrimidin-2-yl]acetamide

N-[6-oxo-4-(4-phenylbutyl)-1H-pyrimidin-2-yl]acetamide (PubChem CID 135483277) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[6-oxo-4-(4-phenylbutyl)-1H-pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-oxo-4-(4-phenylbutyl)-1H-pyrimidin-2-yl]acetamide
PubChem CID135483277
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[6-oxo-4-(4-phenylbutyl)-1H-pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nc(CCCCc2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C16H19N3O2/c1-12(20)17-16-18-14(11-15(21)19-16)10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10H2,1H3,(H2,17,18,19,20,21)
InChIKeyPVSIOXUQSYWCOP-UHFFFAOYSA-N
XLogP2.29
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide
CID 135590630
N-[4-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)amino]phenyl]acetamide
CID 136778835
1-(6-oxo-4-undecyl-1H-pyrimidin-2-yl)-3-[6-[(6-oxo-4-undecyl-1H-pyrimidin-2-yl)carbamoylamino]hexyl]urea
CID 136883553
4-benzyl-2-[3-(4-hydroxyphenyl)propylamino]-1H-pyrimidin-6-one
CID 142400663
4-methyl-2-(2-phenylethylamino)-1H-pyrimidin-6-one
CID 135527667
4-butyl-2-(4-hydroxyanilino)-1H-pyrimidin-6-one
CID 136780144
N-(7-benzyl-6-oxo-1H-purin-2-yl)acetamide
CID 135471186
benzyl N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoyl]carbamate
CID 166785590
1-butyl-3-[4-[11-[3-(dimethylamino)phenoxy]undecyl]-6-oxo-1H-pyrimidin-2-yl]urea
CID 136690830
2-benzyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 135417572
2-[(2Z)-2-benzylidenehydrazinyl]-4-propyl-1H-pyrimidin-6-one
CID 135893842
5-(2-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)pentanoic acid
CID 12679379

Frequently Asked Questions

What is the IUPAC name of N-[6-oxo-4-(4-phenylbutyl)-1H-pyrimidin-2-yl]acetamide?
The IUPAC name of N-[6-oxo-4-(4-phenylbutyl)-1H-pyrimidin-2-yl]acetamide (CID 135483277) is N-[6-oxo-4-(4-phenylbutyl)-1H-pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[6-oxo-4-(4-phenylbutyl)-1H-pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[6-oxo-4-(4-phenylbutyl)-1H-pyrimidin-2-yl]acetamide is CC(=O)Nc1nc(CCCCc2ccccc2)cc(=O)[nH]1.
What is the InChIKey of N-[6-oxo-4-(4-phenylbutyl)-1H-pyrimidin-2-yl]acetamide?
The InChIKey is PVSIOXUQSYWCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12(20)17-16-18-14(11-15(21)19-16)10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10H2,1H3,(H2,17,18,19,20,21).
What are the key properties of N-[6-oxo-4-(4-phenylbutyl)-1H-pyrimidin-2-yl]acetamide?
N-[6-oxo-4-(4-phenylbutyl)-1H-pyrimidin-2-yl]acetamide has a molecular weight of 285.35 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-oxo-4-(4-phenylbutyl)-1H-pyrimidin-2-yl]acetamide is sourced from PubChem (CID 135483277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).