benzyl N-pyrimidin-4-ylcarbamate

C12H11N3O2 — CID 141216727

IUPACbenzyl N-pyrimidin-4-ylcarbamate
SMILESO=C(Nc1ccncn1)OCc1ccccc1
InChIInChI=1S/C12H11N3O2/c16-12(15-11-6-7-13-9-14-11)17-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,13,14,15,16)
InChIKeyATQRIROICGRKOR-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.23
Rot. Bonds3

About benzyl N-pyrimidin-4-ylcarbamate

benzyl N-pyrimidin-4-ylcarbamate (PubChem CID 141216727) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is benzyl N-pyrimidin-4-ylcarbamate.

Molecular Properties

Compound Namebenzyl N-pyrimidin-4-ylcarbamate
PubChem CID141216727
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Namebenzyl N-pyrimidin-4-ylcarbamate
SMILESO=C(Nc1ccncn1)OCc1ccccc1
InChIInChI=1S/C12H11N3O2/c16-12(15-11-6-7-13-9-14-11)17-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,13,14,15,16)
InChIKeyATQRIROICGRKOR-UHFFFAOYSA-N
XLogP2.23
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(2-bromo-1,3-thiazol-4-yl)carbamate
CID 121232006
benzyl N-(3-methyl-4-pyridinyl)carbamate
CID 130580947
6-(phenylmethoxycarbonylamino)pyridine-2-carboxylic acid
CID 63643408
benzyl N-(4-amino-5-fluoro-2-pyridinyl)carbamate
CID 130287830
benzyl N-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]carbamate
CID 167736278
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
benzyl N-(4-formylpyrimidin-2-yl)carbamate;hydrochloride
CID 135370586
benzyl N-(2-methylsulfanyl-4-pyridinyl)carbamate
CID 166160888
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
pyridin-4-ylmethyl N-(2-fluorophenyl)carbamate
CID 117059992
benzyl N-(2-propan-2-ylpyrazol-3-yl)carbamate
CID 130581119
benzyl N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]carbamate
CID 1131245

Frequently Asked Questions

What is the IUPAC name of benzyl N-pyrimidin-4-ylcarbamate?
The IUPAC name of benzyl N-pyrimidin-4-ylcarbamate (CID 141216727) is benzyl N-pyrimidin-4-ylcarbamate.
What is the SMILES notation for benzyl N-pyrimidin-4-ylcarbamate?
The canonical SMILES for benzyl N-pyrimidin-4-ylcarbamate is O=C(Nc1ccncn1)OCc1ccccc1.
What is the InChIKey of benzyl N-pyrimidin-4-ylcarbamate?
The InChIKey is ATQRIROICGRKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-12(15-11-6-7-13-9-14-11)17-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,13,14,15,16).
What are the key properties of benzyl N-pyrimidin-4-ylcarbamate?
benzyl N-pyrimidin-4-ylcarbamate has a molecular weight of 229.24 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-pyrimidin-4-ylcarbamate is sourced from PubChem (CID 141216727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).