benzyl N-[4-[(2-chloro-5-pyridin-4-ylpyrimidin-4-yl)amino]cyclohexyl]carbamate

C23H24ClN5O2 — CID 90862377

IUPACbenzyl N-[4-[(2-chloro-5-pyridin-4-ylpyrimidin-4-yl)amino]cyclohexyl]carbamate
SMILESO=C(NC1CCC(Nc2nc(Cl)ncc2-c2ccncc2)CC1)OCc1ccccc1
InChIInChI=1S/C23H24ClN5O2/c24-22-26-14-20(17-10-12-25-13-11-17)21(29-22)27-18-6-8-19(9-7-18)28-23(30)31-15-16-4-2-1-3-5-16/h1-5,10-14,18-19H,6-9,15H2,(H,28,30)(H,26,27,29)
InChIKeyIBFFHAURYVDMFK-UHFFFAOYSA-N
MW437.93 g/mol
LogP4.84
Rot. Bonds6

About benzyl N-[4-[(2-chloro-5-pyridin-4-ylpyrimidin-4-yl)amino]cyclohexyl]carbamate

benzyl N-[4-[(2-chloro-5-pyridin-4-ylpyrimidin-4-yl)amino]cyclohexyl]carbamate (PubChem CID 90862377) has the molecular formula C23H24ClN5O2 and a molecular weight of 437.93 g/mol. Its IUPAC name is benzyl N-[4-[(2-chloro-5-pyridin-4-ylpyrimidin-4-yl)amino]cyclohexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-[(2-chloro-5-pyridin-4-ylpyrimidin-4-yl)amino]cyclohexyl]carbamate
PubChem CID90862377
Molecular FormulaC23H24ClN5O2
Molecular Weight437.93 g/mol
Exact Mass437.16
IUPAC Namebenzyl N-[4-[(2-chloro-5-pyridin-4-ylpyrimidin-4-yl)amino]cyclohexyl]carbamate
SMILESO=C(NC1CCC(Nc2nc(Cl)ncc2-c2ccncc2)CC1)OCc1ccccc1
InChIInChI=1S/C23H24ClN5O2/c24-22-26-14-20(17-10-12-25-13-11-17)21(29-22)27-18-6-8-19(9-7-18)28-23(30)31-15-16-4-2-1-3-5-16/h1-5,10-14,18-19H,6-9,15H2,(H,28,30)(H,26,27,29)
InChIKeyIBFFHAURYVDMFK-UHFFFAOYSA-N
XLogP4.84
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
benzyl N-(4-iodocyclohexyl)carbamate
CID 66569099
benzyl N-cyclopent-3-en-1-ylcarbamate
CID 10751243
[4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexyl]carbamic acid
CID 141129534
[4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium
CID 86306720
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[(1S,2R,3S,4R)-4-[2-chloro-6-(cyclopentylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]carbamate
CID 86643999
benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate
CID 15932630
benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
benzyl N-[3-[(6-chloro-2-pyridinyl)amino]cyclobutyl]carbamate
CID 103393660
benzyl N-(4-propylcyclohexyl)carbamate
CID 130580975

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-[(2-chloro-5-pyridin-4-ylpyrimidin-4-yl)amino]cyclohexyl]carbamate?
The IUPAC name of benzyl N-[4-[(2-chloro-5-pyridin-4-ylpyrimidin-4-yl)amino]cyclohexyl]carbamate (CID 90862377) is benzyl N-[4-[(2-chloro-5-pyridin-4-ylpyrimidin-4-yl)amino]cyclohexyl]carbamate.
What is the SMILES notation for benzyl N-[4-[(2-chloro-5-pyridin-4-ylpyrimidin-4-yl)amino]cyclohexyl]carbamate?
The canonical SMILES for benzyl N-[4-[(2-chloro-5-pyridin-4-ylpyrimidin-4-yl)amino]cyclohexyl]carbamate is O=C(NC1CCC(Nc2nc(Cl)ncc2-c2ccncc2)CC1)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-[(2-chloro-5-pyridin-4-ylpyrimidin-4-yl)amino]cyclohexyl]carbamate?
The InChIKey is IBFFHAURYVDMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O2/c24-22-26-14-20(17-10-12-25-13-11-17)21(29-22)27-18-6-8-19(9-7-18)28-23(30)31-15-16-4-2-1-3-5-16/h1-5,10-14,18-19H,6-9,15H2,(H,28,30)(H,26,27,29).
What are the key properties of benzyl N-[4-[(2-chloro-5-pyridin-4-ylpyrimidin-4-yl)amino]cyclohexyl]carbamate?
benzyl N-[4-[(2-chloro-5-pyridin-4-ylpyrimidin-4-yl)amino]cyclohexyl]carbamate has a molecular weight of 437.93 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-[(2-chloro-5-pyridin-4-ylpyrimidin-4-yl)amino]cyclohexyl]carbamate is sourced from PubChem (CID 90862377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).