tert-butyl N-[[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylcarbamate

C21H26N4O3 — CID 133300884

IUPACtert-butyl N-[[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylcarbamate
SMILESCN(CC1CCN(c2ncnc3c2oc2ccccc23)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C21H26N4O3/c1-21(2,3)28-20(26)24(4)11-14-9-10-25(12-14)19-18-17(22-13-23-19)15-7-5-6-8-16(15)27-18/h5-8,13-14H,9-12H2,1-4H3
InChIKeyHIQMMUJYOSRORQ-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.07
Rot. Bonds3

About tert-butyl N-[[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylcarbamate

tert-butyl N-[[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylcarbamate (PubChem CID 133300884) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is tert-butyl N-[[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylcarbamate
PubChem CID133300884
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Nametert-butyl N-[[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylcarbamate
SMILESCN(CC1CCN(c2ncnc3c2oc2ccccc23)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C21H26N4O3/c1-21(2,3)28-20(26)24(4)11-14-9-10-25(12-14)19-18-17(22-13-23-19)15-7-5-6-8-16(15)27-18/h5-8,13-14H,9-12H2,1-4H3
InChIKeyHIQMMUJYOSRORQ-UHFFFAOYSA-N
XLogP4.07
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylcarbamate with MolForge

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Related Compounds

tert-butyl N-methyl-N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]carbamate
CID 133300739
ethyl 1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate;hydrochloride
CID 2952391
1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133326963
tert-butyl N-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate
CID 133395574
(3S)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 92897876
(3S)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-cycloheptylpiperidine-3-carboxamide
CID 92884501
1-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 133285409
4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 71968536
tert-butyl N-[1-(8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-4-fluoropyrrolidin-3-yl]-N-methylcarbamate
CID 59825240
tert-butyl N-methyl-N-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]carbamate
CID 66805336
2-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2-fluoroacetamide
CID 126826467
(2S)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 6546523

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylcarbamate (CID 133300884) is tert-butyl N-[[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylcarbamate is CN(CC1CCN(c2ncnc3c2oc2ccccc23)C1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylcarbamate?
The InChIKey is HIQMMUJYOSRORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-21(2,3)28-20(26)24(4)11-14-9-10-25(12-14)19-18-17(22-13-23-19)15-7-5-6-8-16(15)27-18/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of tert-butyl N-[[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylcarbamate?
tert-butyl N-[[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylcarbamate has a molecular weight of 382.46 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 133300884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).