tert-butyl N-(2-pyridin-3-ylpyrimidin-4-yl)carbamate

C14H16N4O2 — CID 175481967

IUPACtert-butyl N-(2-pyridin-3-ylpyrimidin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccnc(-c2cccnc2)n1
InChIInChI=1S/C14H16N4O2/c1-14(2,3)20-13(19)18-11-6-8-16-12(17-11)10-5-4-7-15-9-10/h4-9H,1-3H3,(H,16,17,18,19)
InChIKeyCZQHJNAHQOKGQF-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.89
Rot. Bonds2

About tert-butyl N-(2-pyridin-3-ylpyrimidin-4-yl)carbamate

tert-butyl N-(2-pyridin-3-ylpyrimidin-4-yl)carbamate (PubChem CID 175481967) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is tert-butyl N-(2-pyridin-3-ylpyrimidin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-pyridin-3-ylpyrimidin-4-yl)carbamate
PubChem CID175481967
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Nametert-butyl N-(2-pyridin-3-ylpyrimidin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccnc(-c2cccnc2)n1
InChIInChI=1S/C14H16N4O2/c1-14(2,3)20-13(19)18-11-6-8-16-12(17-11)10-5-4-7-15-9-10/h4-9H,1-3H3,(H,16,17,18,19)
InChIKeyCZQHJNAHQOKGQF-UHFFFAOYSA-N
XLogP2.89
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-pyrazin-2-ylcarbamate;ethane
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N-[(4-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine
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ethyl 4-[(2-pyridin-3-ylpyrimidin-4-yl)amino]benzoate
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tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
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tert-butyl N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-pyridin-3-ylpyrimidin-4-yl)carbamate?
The IUPAC name of tert-butyl N-(2-pyridin-3-ylpyrimidin-4-yl)carbamate (CID 175481967) is tert-butyl N-(2-pyridin-3-ylpyrimidin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-pyridin-3-ylpyrimidin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-pyridin-3-ylpyrimidin-4-yl)carbamate is CC(C)(C)OC(=O)Nc1ccnc(-c2cccnc2)n1.
What is the InChIKey of tert-butyl N-(2-pyridin-3-ylpyrimidin-4-yl)carbamate?
The InChIKey is CZQHJNAHQOKGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-14(2,3)20-13(19)18-11-6-8-16-12(17-11)10-5-4-7-15-9-10/h4-9H,1-3H3,(H,16,17,18,19).
What are the key properties of tert-butyl N-(2-pyridin-3-ylpyrimidin-4-yl)carbamate?
tert-butyl N-(2-pyridin-3-ylpyrimidin-4-yl)carbamate has a molecular weight of 272.31 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-pyridin-3-ylpyrimidin-4-yl)carbamate is sourced from PubChem (CID 175481967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).