pentyl N-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate

C17H21N3O3 — CID 136609072

IUPACpentyl N-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate
SMILESCCCCCOC(=O)Nc1nc(-c2ccccc2)c(C)c(=O)[nH]1
InChIInChI=1S/C17H21N3O3/c1-3-4-8-11-23-17(22)20-16-18-14(12(2)15(21)19-16)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyOKAZTSWHOIWMQD-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.48
Rot. Bonds6

About pentyl N-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate

pentyl N-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate (PubChem CID 136609072) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is pentyl N-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate.

Molecular Properties

Compound Namepentyl N-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate
PubChem CID136609072
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Namepentyl N-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate
SMILESCCCCCOC(=O)Nc1nc(-c2ccccc2)c(C)c(=O)[nH]1
InChIInChI=1S/C17H21N3O3/c1-3-4-8-11-23-17(22)20-16-18-14(12(2)15(21)19-16)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyOKAZTSWHOIWMQD-UHFFFAOYSA-N
XLogP3.48
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate
CID 135465944
hexadecyl N-(1H-benzimidazol-2-yl)carbamate
CID 140968781
5-methyl-2-(methylamino)-4-phenyl-1H-pyrimidin-6-one
CID 137000220
2-butyl-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764378
octyl N-(3-phenylpyridazin-4-yl)carbamate
CID 70534744
dodecyl N-phenylcarbamate
CID 521818
heptyl N-(6-butyl-1H-benzimidazol-2-yl)carbamate
CID 163361753
2-(1-methoxypropan-2-yl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136930656
octyl 2-(4,5-diphenyl-1H-imidazol-2-yl)acetate
CID 54186770
pentyl N-(2,3-dimethylphenyl)carbamate
CID 67224128
octadecyl N-(2,6-dimethylphenyl)carbamate
CID 10002058
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236

Frequently Asked Questions

What is the IUPAC name of pentyl N-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate?
The IUPAC name of pentyl N-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate (CID 136609072) is pentyl N-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate.
What is the SMILES notation for pentyl N-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate?
The canonical SMILES for pentyl N-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate is CCCCCOC(=O)Nc1nc(-c2ccccc2)c(C)c(=O)[nH]1.
What is the InChIKey of pentyl N-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate?
The InChIKey is OKAZTSWHOIWMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-3-4-8-11-23-17(22)20-16-18-14(12(2)15(21)19-16)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11H2,1-2H3,(H2,18,19,20,21,22).
What are the key properties of pentyl N-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate?
pentyl N-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate has a molecular weight of 315.37 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl N-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate is sourced from PubChem (CID 136609072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).