tert-butyl N-[[4-[(6-methylimidazo[1,2-a]pyrazin-3-yl)amino]phenyl]methyl]carbamate

C19H23N5O2 — CID 101368480

IUPACtert-butyl N-[[4-[(6-methylimidazo[1,2-a]pyrazin-3-yl)amino]phenyl]methyl]carbamate
SMILESCc1cn2c(Nc3ccc(CNC(=O)OC(C)(C)C)cc3)cnc2cn1
InChIInChI=1S/C19H23N5O2/c1-13-12-24-16(10-20-13)21-11-17(24)23-15-7-5-14(6-8-15)9-22-18(25)26-19(2,3)4/h5-8,10-12,23H,9H2,1-4H3,(H,22,25)
InChIKeyMWBKGVWPBXOUMW-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.81
Rot. Bonds4

About tert-butyl N-[[4-[(6-methylimidazo[1,2-a]pyrazin-3-yl)amino]phenyl]methyl]carbamate

tert-butyl N-[[4-[(6-methylimidazo[1,2-a]pyrazin-3-yl)amino]phenyl]methyl]carbamate (PubChem CID 101368480) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is tert-butyl N-[[4-[(6-methylimidazo[1,2-a]pyrazin-3-yl)amino]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[(6-methylimidazo[1,2-a]pyrazin-3-yl)amino]phenyl]methyl]carbamate
PubChem CID101368480
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Nametert-butyl N-[[4-[(6-methylimidazo[1,2-a]pyrazin-3-yl)amino]phenyl]methyl]carbamate
SMILESCc1cn2c(Nc3ccc(CNC(=O)OC(C)(C)C)cc3)cnc2cn1
InChIInChI=1S/C19H23N5O2/c1-13-12-24-16(10-20-13)21-11-17(24)23-15-7-5-14(6-8-15)9-22-18(25)26-19(2,3)4/h5-8,10-12,23H,9H2,1-4H3,(H,22,25)
InChIKeyMWBKGVWPBXOUMW-UHFFFAOYSA-N
XLogP3.81
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-2-carboxylic acid
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tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[(6-methylimidazo[1,2-a]pyrazin-3-yl)amino]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-[(6-methylimidazo[1,2-a]pyrazin-3-yl)amino]phenyl]methyl]carbamate (CID 101368480) is tert-butyl N-[[4-[(6-methylimidazo[1,2-a]pyrazin-3-yl)amino]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-[(6-methylimidazo[1,2-a]pyrazin-3-yl)amino]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-[(6-methylimidazo[1,2-a]pyrazin-3-yl)amino]phenyl]methyl]carbamate is Cc1cn2c(Nc3ccc(CNC(=O)OC(C)(C)C)cc3)cnc2cn1.
What is the InChIKey of tert-butyl N-[[4-[(6-methylimidazo[1,2-a]pyrazin-3-yl)amino]phenyl]methyl]carbamate?
The InChIKey is MWBKGVWPBXOUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-12-24-16(10-20-13)21-11-17(24)23-15-7-5-14(6-8-15)9-22-18(25)26-19(2,3)4/h5-8,10-12,23H,9H2,1-4H3,(H,22,25).
What are the key properties of tert-butyl N-[[4-[(6-methylimidazo[1,2-a]pyrazin-3-yl)amino]phenyl]methyl]carbamate?
tert-butyl N-[[4-[(6-methylimidazo[1,2-a]pyrazin-3-yl)amino]phenyl]methyl]carbamate has a molecular weight of 353.43 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[(6-methylimidazo[1,2-a]pyrazin-3-yl)amino]phenyl]methyl]carbamate is sourced from PubChem (CID 101368480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).