tert-butyl N-[[2-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]methyl]carbamate

C19H22N4O3 — CID 122483314

IUPACtert-butyl N-[[2-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccn2cc(-c3ccc(CO)cc3)nc2n1
InChIInChI=1S/C19H22N4O3/c1-19(2,3)26-18(25)20-10-15-8-9-23-11-16(22-17(23)21-15)14-6-4-13(12-24)5-7-14/h4-9,11,24H,10,12H2,1-3H3,(H,20,25)
InChIKeyURGAXXJKKDSDNG-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.91
Rot. Bonds4

About tert-butyl N-[[2-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]methyl]carbamate

tert-butyl N-[[2-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]methyl]carbamate (PubChem CID 122483314) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is tert-butyl N-[[2-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]methyl]carbamate
PubChem CID122483314
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Nametert-butyl N-[[2-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccn2cc(-c3ccc(CO)cc3)nc2n1
InChIInChI=1S/C19H22N4O3/c1-19(2,3)26-18(25)20-10-15-8-9-23-11-16(22-17(23)21-15)14-6-4-13(12-24)5-7-14/h4-9,11,24H,10,12H2,1-3H3,(H,20,25)
InChIKeyURGAXXJKKDSDNG-UHFFFAOYSA-N
XLogP2.91
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[[2-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[[7-[[[2-(2,2-difluorocyclopropyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]carbamate
CID 166822363
tert-butyl N-[[4-cyano-5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]methyl]carbamate
CID 134301612
tert-butyl N-[4-[2-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-oxoethyl]phenyl]carbamate
CID 78893994
tert-butyl N-[[1-[[4-(hydroxymethyl)phenyl]methyl]pyrazol-4-yl]methyl]carbamate
CID 110006016
tert-butyl N-[(7-phenylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
CID 175306900
tert-butyl N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate
CID 22337080
tert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate
CID 163355422
tert-butyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-ynyl]carbamate
CID 121231499
tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate
CID 86071310
tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
CID 63788697
tert-butyl N-[[3-(hydroxymethyl)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]carbamate
CID 139721370
tert-butyl 3-[[4-[8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]benzoyl]amino]propanoate
CID 19965394

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]methyl]carbamate (CID 122483314) is tert-butyl N-[[2-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccn2cc(-c3ccc(CO)cc3)nc2n1.
What is the InChIKey of tert-butyl N-[[2-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]methyl]carbamate?
The InChIKey is URGAXXJKKDSDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-19(2,3)26-18(25)20-10-15-8-9-23-11-16(22-17(23)21-15)14-6-4-13(12-24)5-7-14/h4-9,11,24H,10,12H2,1-3H3,(H,20,25).
What are the key properties of tert-butyl N-[[2-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]methyl]carbamate?
tert-butyl N-[[2-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]methyl]carbamate has a molecular weight of 354.41 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]methyl]carbamate is sourced from PubChem (CID 122483314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).