tert-butyl N-[[5-(4-pyrimidin-5-yl-3-pyridinyl)furan-2-yl]methyl]carbamate

C19H20N4O3 — CID 151326575

IUPACtert-butyl N-[[5-(4-pyrimidin-5-yl-3-pyridinyl)furan-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(-c2cnccc2-c2cncnc2)o1
InChIInChI=1S/C19H20N4O3/c1-19(2,3)26-18(24)23-10-14-4-5-17(25-14)16-11-20-7-6-15(16)13-8-21-12-22-9-13/h4-9,11-12H,10H2,1-3H3,(H,23,24)
InChIKeyOHOHTLMSUIOVGB-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.82
Rot. Bonds4

About tert-butyl N-[[5-(4-pyrimidin-5-yl-3-pyridinyl)furan-2-yl]methyl]carbamate

tert-butyl N-[[5-(4-pyrimidin-5-yl-3-pyridinyl)furan-2-yl]methyl]carbamate (PubChem CID 151326575) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is tert-butyl N-[[5-(4-pyrimidin-5-yl-3-pyridinyl)furan-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-(4-pyrimidin-5-yl-3-pyridinyl)furan-2-yl]methyl]carbamate
PubChem CID151326575
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Nametert-butyl N-[[5-(4-pyrimidin-5-yl-3-pyridinyl)furan-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(-c2cnccc2-c2cncnc2)o1
InChIInChI=1S/C19H20N4O3/c1-19(2,3)26-18(24)23-10-14-4-5-17(25-14)16-11-20-7-6-15(16)13-8-21-12-22-9-13/h4-9,11-12H,10H2,1-3H3,(H,23,24)
InChIKeyOHOHTLMSUIOVGB-UHFFFAOYSA-N
XLogP3.82
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-bromo-4-pyridinyl)pyrimidine;tert-butyl N-[[5-(4-pyrimidin-5-yl-3-pyridinyl)furan-2-yl]methyl]carbamate;[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-2-yl]boronic acid
CID 161439429
4-amino-5-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-2-yl]pyridine-3-carboxylic acid
CID 155522514
tert-butyl N-[[5-(2-methylphenyl)furan-2-yl]methyl]carbamate
CID 145262667
tert-butyl N-[3-(4-pyrimidin-5-yl-3-pyridinyl)prop-2-ynyl]carbamate
CID 151276183
tert-butyl N-(pyrazin-2-ylmethyl)carbamate
CID 66970536
tert-butyl N-[2-(4-chloro-3-pyridinyl)ethyl]carbamate
CID 141078611
tert-butyl N-[[5-[ethyl(methyl)carbamoyl]furan-2-yl]methyl]carbamate
CID 71995203
tert-butyl N-[2-(pyrimidin-5-ylmethylamino)ethyl]carbamate
CID 103740122
tert-butyl N-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]carbamate
CID 165468430
tert-butyl N-[[5-[(4-aminophenyl)carbamoyl]furan-2-yl]methyl]carbamate
CID 140688111
tert-butyl N-(2-oxo-2-pyrimidin-5-ylethyl)carbamate
CID 138987299
tert-butyl N-[(2R)-2-amino-2-pyrimidin-5-ylethyl]carbamate
CID 99905265

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-(4-pyrimidin-5-yl-3-pyridinyl)furan-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-(4-pyrimidin-5-yl-3-pyridinyl)furan-2-yl]methyl]carbamate (CID 151326575) is tert-butyl N-[[5-(4-pyrimidin-5-yl-3-pyridinyl)furan-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-(4-pyrimidin-5-yl-3-pyridinyl)furan-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-(4-pyrimidin-5-yl-3-pyridinyl)furan-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(-c2cnccc2-c2cncnc2)o1.
What is the InChIKey of tert-butyl N-[[5-(4-pyrimidin-5-yl-3-pyridinyl)furan-2-yl]methyl]carbamate?
The InChIKey is OHOHTLMSUIOVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-19(2,3)26-18(24)23-10-14-4-5-17(25-14)16-11-20-7-6-15(16)13-8-21-12-22-9-13/h4-9,11-12H,10H2,1-3H3,(H,23,24).
What are the key properties of tert-butyl N-[[5-(4-pyrimidin-5-yl-3-pyridinyl)furan-2-yl]methyl]carbamate?
tert-butyl N-[[5-(4-pyrimidin-5-yl-3-pyridinyl)furan-2-yl]methyl]carbamate has a molecular weight of 352.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-(4-pyrimidin-5-yl-3-pyridinyl)furan-2-yl]methyl]carbamate is sourced from PubChem (CID 151326575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).