tert-butyl N-[[1-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]carbamate

C17H23ClN4O2 — CID 141342582

IUPACtert-butyl N-[[1-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(n2ccc3cnc(Cl)nc32)CCCC1
InChIInChI=1S/C17H23ClN4O2/c1-16(2,3)24-15(23)20-11-17(7-4-5-8-17)22-9-6-12-10-19-14(18)21-13(12)22/h6,9-10H,4-5,7-8,11H2,1-3H3,(H,20,23)
InChIKeyCZDWGXHELVGCMT-UHFFFAOYSA-N
MW350.85 g/mol
LogP3.88
Rot. Bonds3

About tert-butyl N-[[1-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]carbamate

tert-butyl N-[[1-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]carbamate (PubChem CID 141342582) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is tert-butyl N-[[1-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]carbamate
PubChem CID141342582
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Nametert-butyl N-[[1-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(n2ccc3cnc(Cl)nc32)CCCC1
InChIInChI=1S/C17H23ClN4O2/c1-16(2,3)24-15(23)20-11-17(7-4-5-8-17)22-9-6-12-10-19-14(18)21-13(12)22/h6,9-10H,4-5,7-8,11H2,1-3H3,(H,20,23)
InChIKeyCZDWGXHELVGCMT-UHFFFAOYSA-N
XLogP3.88
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[1-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclopentyl]methyl]carbamate
CID 86695607
methyl 3-[2-chloro-4-[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]amino]pyrimidin-5-yl]-2-oxopropanoate
CID 159885186
tert-butyl N-[(2S)-1-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-methylbutan-2-yl]carbamate;carbon dioxide
CID 157265095
tert-butyl N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)carbamate
CID 171397407
tert-butyl N-[2-(2-chloro-6-formylpyrrolo[2,3-d]pyrimidin-7-yl)ethyl]carbamate
CID 86695605
tert-butyl N-[3-[2-chloro-4-[[1-(hydroxymethyl)cyclohexyl]amino]pyrimidin-5-yl]prop-2-ynyl]carbamate
CID 162360184
tert-butyl N-[2-[2-chloro-6-(diethoxymethyl)pyrrolo[2,3-d]pyrimidin-7-yl]ethyl]carbamate
CID 87428127
tert-butyl N-[[4-[(5-amino-2-chloropyrimidin-4-yl)amino]phenyl]methyl]carbamate;ethane
CID 144742959
tert-butyl N-[(2R)-2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-3,3-dimethylbutyl]carbamate
CID 87428396
tert-butyl N-[[3-(6-chloro-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)cyclobutyl]methyl]carbamate
CID 165171947
tert-butyl N-[[1-(3-chlorophenyl)cyclohexyl]methyl]carbamate
CID 70298157
tert-butyl N-[[3-[(2,5-dichloropyrimidin-4-yl)amino]cycloheptyl]methyl]carbamate
CID 123773670

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]carbamate (CID 141342582) is tert-butyl N-[[1-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1(n2ccc3cnc(Cl)nc32)CCCC1.
What is the InChIKey of tert-butyl N-[[1-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]carbamate?
The InChIKey is CZDWGXHELVGCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O2/c1-16(2,3)24-15(23)20-11-17(7-4-5-8-17)22-9-6-12-10-19-14(18)21-13(12)22/h6,9-10H,4-5,7-8,11H2,1-3H3,(H,20,23).
What are the key properties of tert-butyl N-[[1-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]carbamate?
tert-butyl N-[[1-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]carbamate has a molecular weight of 350.85 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]carbamate is sourced from PubChem (CID 141342582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).