tert-butyl N-[4-(6-oxo-1H-pyrimidin-5-yl)phenyl]carbamate

C15H17N3O3 — CID 122200488

IUPACtert-butyl N-[4-(6-oxo-1H-pyrimidin-5-yl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2cnc[nH]c2=O)cc1
InChIInChI=1S/C15H17N3O3/c1-15(2,3)21-14(20)18-11-6-4-10(5-7-11)12-8-16-9-17-13(12)19/h4-9H,1-3H3,(H,18,20)(H,16,17,19)
InChIKeyATIOZJHNBUBPIM-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.78
Rot. Bonds2

About tert-butyl N-[4-(6-oxo-1H-pyrimidin-5-yl)phenyl]carbamate

tert-butyl N-[4-(6-oxo-1H-pyrimidin-5-yl)phenyl]carbamate (PubChem CID 122200488) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is tert-butyl N-[4-(6-oxo-1H-pyrimidin-5-yl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(6-oxo-1H-pyrimidin-5-yl)phenyl]carbamate
PubChem CID122200488
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Nametert-butyl N-[4-(6-oxo-1H-pyrimidin-5-yl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2cnc[nH]c2=O)cc1
InChIInChI=1S/C15H17N3O3/c1-15(2,3)21-14(20)18-11-6-4-10(5-7-11)12-8-16-9-17-13(12)19/h4-9H,1-3H3,(H,18,20)(H,16,17,19)
InChIKeyATIOZJHNBUBPIM-UHFFFAOYSA-N
XLogP2.78
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate
CID 53218281
tert-butyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 53218743
5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid
CID 53224655
methyl N-[4-(1H-imidazol-5-ylmethylamino)phenyl]carbamate
CID 62763549
tert-butyl N-[4-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenyl]carbamate
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CID 68939473
tert-butyl N-[4-[[4-(4-fluorophenyl)phenyl]-hydroxymethyl]phenyl]carbamate
CID 155206873
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
5-(4-bromophenyl)-1H-pyrimidin-6-one
CID 106517913
tert-butyl N-[4-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]phenyl]carbamate
CID 139943635
tert-butyl N-[4-(2-amino-4-pyridinyl)phenyl]carbamate
CID 140874182
tert-butyl N-[4-(prop-2-enoylamino)phenyl]carbamate
CID 70001681

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(6-oxo-1H-pyrimidin-5-yl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(6-oxo-1H-pyrimidin-5-yl)phenyl]carbamate (CID 122200488) is tert-butyl N-[4-(6-oxo-1H-pyrimidin-5-yl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(6-oxo-1H-pyrimidin-5-yl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(6-oxo-1H-pyrimidin-5-yl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(-c2cnc[nH]c2=O)cc1.
What is the InChIKey of tert-butyl N-[4-(6-oxo-1H-pyrimidin-5-yl)phenyl]carbamate?
The InChIKey is ATIOZJHNBUBPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-15(2,3)21-14(20)18-11-6-4-10(5-7-11)12-8-16-9-17-13(12)19/h4-9H,1-3H3,(H,18,20)(H,16,17,19).
What are the key properties of tert-butyl N-[4-(6-oxo-1H-pyrimidin-5-yl)phenyl]carbamate?
tert-butyl N-[4-(6-oxo-1H-pyrimidin-5-yl)phenyl]carbamate has a molecular weight of 287.32 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(6-oxo-1H-pyrimidin-5-yl)phenyl]carbamate is sourced from PubChem (CID 122200488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).