phenyl N-(6-methoxypyrimidin-4-yl)carbamate

C12H11N3O3 — CID 66833981

IUPACphenyl N-(6-methoxypyrimidin-4-yl)carbamate
SMILESCOc1cc(NC(=O)Oc2ccccc2)ncn1
InChIInChI=1S/C12H11N3O3/c1-17-11-7-10(13-8-14-11)15-12(16)18-9-5-3-2-4-6-9/h2-8H,1H3,(H,13,14,15,16)
InChIKeyLFCCUPFKPWNQOE-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.10
Rot. Bonds3

About phenyl N-(6-methoxypyrimidin-4-yl)carbamate

phenyl N-(6-methoxypyrimidin-4-yl)carbamate (PubChem CID 66833981) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is phenyl N-(6-methoxypyrimidin-4-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(6-methoxypyrimidin-4-yl)carbamate
PubChem CID66833981
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Namephenyl N-(6-methoxypyrimidin-4-yl)carbamate
SMILESCOc1cc(NC(=O)Oc2ccccc2)ncn1
InChIInChI=1S/C12H11N3O3/c1-17-11-7-10(13-8-14-11)15-12(16)18-9-5-3-2-4-6-9/h2-8H,1H3,(H,13,14,15,16)
InChIKeyLFCCUPFKPWNQOE-UHFFFAOYSA-N
XLogP2.10
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl N-(6-methoxypyrazin-2-yl)carbamate
CID 66875760
phenyl N-(4-ethyl-6-methoxypyrimidin-2-yl)carbamate
CID 21467947
phenyl N-(5-methyl-1,2-oxazol-3-yl)carbamate
CID 4519264
(3-methoxyphenyl) N-pyridin-2-ylcarbamate
CID 102435207
2-(3-chloro-4-fluorophenoxy)-N-(6-methoxypyrimidin-4-yl)-2-phenylacetamide
CID 146147762
N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 54782946
3-(6-methoxypyrimidin-4-yl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 84601056
5-methoxy-2-(phenoxycarbonylamino)benzoic acid
CID 115411200
6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355832
2-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]benzoic acid
CID 66318514
phenyl N-(5-cyano-2-pyridinyl)carbamate
CID 57469773
tert-butyl N-[3-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]phenyl]carbamate
CID 70843625

Frequently Asked Questions

What is the IUPAC name of phenyl N-(6-methoxypyrimidin-4-yl)carbamate?
The IUPAC name of phenyl N-(6-methoxypyrimidin-4-yl)carbamate (CID 66833981) is phenyl N-(6-methoxypyrimidin-4-yl)carbamate.
What is the SMILES notation for phenyl N-(6-methoxypyrimidin-4-yl)carbamate?
The canonical SMILES for phenyl N-(6-methoxypyrimidin-4-yl)carbamate is COc1cc(NC(=O)Oc2ccccc2)ncn1.
What is the InChIKey of phenyl N-(6-methoxypyrimidin-4-yl)carbamate?
The InChIKey is LFCCUPFKPWNQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-17-11-7-10(13-8-14-11)15-12(16)18-9-5-3-2-4-6-9/h2-8H,1H3,(H,13,14,15,16).
What are the key properties of phenyl N-(6-methoxypyrimidin-4-yl)carbamate?
phenyl N-(6-methoxypyrimidin-4-yl)carbamate has a molecular weight of 245.24 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(6-methoxypyrimidin-4-yl)carbamate is sourced from PubChem (CID 66833981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).