tert-butyl N-[(4-pyridin-2-ylpyrimidin-2-yl)methyl]carbamate

C15H18N4O2 — CID 66523268

IUPACtert-butyl N-[(4-pyridin-2-ylpyrimidin-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1nccc(-c2ccccn2)n1
InChIInChI=1S/C15H18N4O2/c1-15(2,3)21-14(20)18-10-13-17-9-7-12(19-13)11-6-4-5-8-16-11/h4-9H,10H2,1-3H3,(H,18,20)
InChIKeyXNIBGHBUDRMMNB-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.56
Rot. Bonds3

About tert-butyl N-[(4-pyridin-2-ylpyrimidin-2-yl)methyl]carbamate

tert-butyl N-[(4-pyridin-2-ylpyrimidin-2-yl)methyl]carbamate (PubChem CID 66523268) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is tert-butyl N-[(4-pyridin-2-ylpyrimidin-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-pyridin-2-ylpyrimidin-2-yl)methyl]carbamate
PubChem CID66523268
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Nametert-butyl N-[(4-pyridin-2-ylpyrimidin-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1nccc(-c2ccccn2)n1
InChIInChI=1S/C15H18N4O2/c1-15(2,3)21-14(20)18-10-13-17-9-7-12(19-13)11-6-4-5-8-16-11/h4-9H,10H2,1-3H3,(H,18,20)
InChIKeyXNIBGHBUDRMMNB-UHFFFAOYSA-N
XLogP2.56
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate
CID 86071310
tert-butyl N-[2-(4-pyridin-2-ylphenyl)ethyl]carbamate
CID 21027861
tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate
CID 96537570
tert-butyl N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]carbamate
CID 54277213
tert-butyl 2-(2-chloro-6-pyridin-2-yl-3-pyridinyl)acetate
CID 58125639
tert-butyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate
CID 47453309
tert-butyl N-[(3-chloroquinoxalin-2-yl)methyl]carbamate
CID 117274297
2-methyl-3-(4-pyridin-2-ylpyrimidin-2-yl)propanoic acid
CID 116900037
tert-butyl N-[[2-(2-methylpyrimidin-4-yl)-1,6-naphthyridin-7-yl]methyl]carbamate
CID 176666664
tert-butyl N-(3-pyridin-2-ylphenyl)carbamate
CID 53419021
tert-butyl N-[4-(pyridin-2-ylmethylamino)butyl]carbamate
CID 142416682
tert-butyl N-[(6-fluoroquinolin-5-yl)methyl]carbamate
CID 177323312

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-pyridin-2-ylpyrimidin-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(4-pyridin-2-ylpyrimidin-2-yl)methyl]carbamate (CID 66523268) is tert-butyl N-[(4-pyridin-2-ylpyrimidin-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-pyridin-2-ylpyrimidin-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-pyridin-2-ylpyrimidin-2-yl)methyl]carbamate is CC(C)(C)OC(=O)NCc1nccc(-c2ccccn2)n1.
What is the InChIKey of tert-butyl N-[(4-pyridin-2-ylpyrimidin-2-yl)methyl]carbamate?
The InChIKey is XNIBGHBUDRMMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-15(2,3)21-14(20)18-10-13-17-9-7-12(19-13)11-6-4-5-8-16-11/h4-9H,10H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[(4-pyridin-2-ylpyrimidin-2-yl)methyl]carbamate?
tert-butyl N-[(4-pyridin-2-ylpyrimidin-2-yl)methyl]carbamate has a molecular weight of 286.33 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-pyridin-2-ylpyrimidin-2-yl)methyl]carbamate is sourced from PubChem (CID 66523268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).