tert-butyl 5-methyl-4-pyridin-2-yl-2H-pyrimidine-1-carboxylate

C15H19N3O2 — CID 141465197

IUPACtert-butyl 5-methyl-4-pyridin-2-yl-2H-pyrimidine-1-carboxylate
SMILESCC1=CN(C(=O)OC(C)(C)C)CN=C1c1ccccn1
InChIInChI=1S/C15H19N3O2/c1-11-9-18(14(19)20-15(2,3)4)10-17-13(11)12-7-5-6-8-16-12/h5-9H,10H2,1-4H3
InChIKeyKEUASUYGEAGPEQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.98
Rot. Bonds1

About tert-butyl 5-methyl-4-pyridin-2-yl-2H-pyrimidine-1-carboxylate

tert-butyl 5-methyl-4-pyridin-2-yl-2H-pyrimidine-1-carboxylate (PubChem CID 141465197) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is tert-butyl 5-methyl-4-pyridin-2-yl-2H-pyrimidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-methyl-4-pyridin-2-yl-2H-pyrimidine-1-carboxylate
PubChem CID141465197
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Nametert-butyl 5-methyl-4-pyridin-2-yl-2H-pyrimidine-1-carboxylate
SMILESCC1=CN(C(=O)OC(C)(C)C)CN=C1c1ccccn1
InChIInChI=1S/C15H19N3O2/c1-11-9-18(14(19)20-15(2,3)4)10-17-13(11)12-7-5-6-8-16-12/h5-9H,10H2,1-4H3
InChIKeyKEUASUYGEAGPEQ-UHFFFAOYSA-N
XLogP2.98
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-(3-methyl-2-pyridin-2-ylphenyl)piperidine-1-carboxylate
CID 170633547
tert-butyl 3-methoxy-4-pyridin-2-ylpyrazole-1-carboxylate
CID 168921290
tert-butyl 3-methyl-2H-azete-1-carboxylate
CID 163575848
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CID 177041144
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CID 121248826
tert-butyl (2S,4S)-4-hydroxy-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxylate
CID 69318335
tert-butyl 4-[N'-(pyridin-2-ylmethyl)carbamimidoyl]piperazine-1-carboxylate
CID 111023278
tert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine
CID 153338980
tert-butyl 3-(oxiran-2-yl)-3-pyridin-2-ylazetidine-1-carboxylate
CID 135396869
tert-butyl 4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate
CID 54773193
tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate
CID 86071310

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-methyl-4-pyridin-2-yl-2H-pyrimidine-1-carboxylate?
The IUPAC name of tert-butyl 5-methyl-4-pyridin-2-yl-2H-pyrimidine-1-carboxylate (CID 141465197) is tert-butyl 5-methyl-4-pyridin-2-yl-2H-pyrimidine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-methyl-4-pyridin-2-yl-2H-pyrimidine-1-carboxylate?
The canonical SMILES for tert-butyl 5-methyl-4-pyridin-2-yl-2H-pyrimidine-1-carboxylate is CC1=CN(C(=O)OC(C)(C)C)CN=C1c1ccccn1.
What is the InChIKey of tert-butyl 5-methyl-4-pyridin-2-yl-2H-pyrimidine-1-carboxylate?
The InChIKey is KEUASUYGEAGPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-9-18(14(19)20-15(2,3)4)10-17-13(11)12-7-5-6-8-16-12/h5-9H,10H2,1-4H3.
What are the key properties of tert-butyl 5-methyl-4-pyridin-2-yl-2H-pyrimidine-1-carboxylate?
tert-butyl 5-methyl-4-pyridin-2-yl-2H-pyrimidine-1-carboxylate has a molecular weight of 273.34 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-methyl-4-pyridin-2-yl-2H-pyrimidine-1-carboxylate is sourced from PubChem (CID 141465197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).