[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-[(4-amino-2-methylpyrimidin-5-yl)methyl]carbamate

C23H24N8O2 — CID 122635658

IUPAC[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-[(4-amino-2-methylpyrimidin-5-yl)methyl]carbamate
SMILESCCc1nnnn1-c1cc(OC(=O)NCc2cnc(C)nc2N)cc(-c2ccc(C)cc2)c1
InChIInChI=1S/C23H24N8O2/c1-4-21-28-29-30-31(21)19-9-17(16-7-5-14(2)6-8-16)10-20(11-19)33-23(32)26-13-18-12-25-15(3)27-22(18)24/h5-12H,4,13H2,1-3H3,(H,26,32)(H2,24,25,27)
InChIKeyIBMVIVRHLYNLDB-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.17
Rot. Bonds6

About [3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-[(4-amino-2-methylpyrimidin-5-yl)methyl]carbamate

[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-[(4-amino-2-methylpyrimidin-5-yl)methyl]carbamate (PubChem CID 122635658) has the molecular formula C23H24N8O2 and a molecular weight of 444.50 g/mol. Its IUPAC name is [3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-[(4-amino-2-methylpyrimidin-5-yl)methyl]carbamate.

Molecular Properties

Compound Name[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-[(4-amino-2-methylpyrimidin-5-yl)methyl]carbamate
PubChem CID122635658
Molecular FormulaC23H24N8O2
Molecular Weight444.50 g/mol
Exact Mass444.20
IUPAC Name[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-[(4-amino-2-methylpyrimidin-5-yl)methyl]carbamate
SMILESCCc1nnnn1-c1cc(OC(=O)NCc2cnc(C)nc2N)cc(-c2ccc(C)cc2)c1
InChIInChI=1S/C23H24N8O2/c1-4-21-28-29-30-31(21)19-9-17(16-7-5-14(2)6-8-16)10-20(11-19)33-23(32)26-13-18-12-25-15(3)27-22(18)24/h5-12H,4,13H2,1-3H3,(H,26,32)(H2,24,25,27)
InChIKeyIBMVIVRHLYNLDB-UHFFFAOYSA-N
XLogP3.17
TPSA133.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(2-hydroxyethyl)carbamate
CID 122505888
[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-[2-(2-hydroxyethoxy)ethyl]carbamate
CID 122505918
[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate
CID 122505839
[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-[(2R)-1-methoxypropan-2-yl]carbamate
CID 122505838
[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(1-pyridazin-3-ylethyl)carbamate
CID 122635642
N-[(5-aminopyrazin-2-yl)methyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide
CID 91488299
[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 122505851
[3-(4-methylphenyl)-5-(5-propyltetrazol-1-yl)phenyl] N-[(2R)-1-methoxypropan-2-yl]carbamate
CID 122505945
[3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-hydroxypropan-2-yl)carbamate
CID 122505872
[3-[5-(methoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-methoxypropan-2-yl)carbamate
CID 122505841
[3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl] N-(1,3-thiazol-2-ylmethyl)carbamate
CID 122635615
[3-[5-[(1S)-1-methoxyethyl]tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-[(5-methylpyrazin-2-yl)methyl]carbamate
CID 122635629

Frequently Asked Questions

What is the IUPAC name of [3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-[(4-amino-2-methylpyrimidin-5-yl)methyl]carbamate?
The IUPAC name of [3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-[(4-amino-2-methylpyrimidin-5-yl)methyl]carbamate (CID 122635658) is [3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-[(4-amino-2-methylpyrimidin-5-yl)methyl]carbamate.
What is the SMILES notation for [3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-[(4-amino-2-methylpyrimidin-5-yl)methyl]carbamate?
The canonical SMILES for [3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-[(4-amino-2-methylpyrimidin-5-yl)methyl]carbamate is CCc1nnnn1-c1cc(OC(=O)NCc2cnc(C)nc2N)cc(-c2ccc(C)cc2)c1.
What is the InChIKey of [3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-[(4-amino-2-methylpyrimidin-5-yl)methyl]carbamate?
The InChIKey is IBMVIVRHLYNLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O2/c1-4-21-28-29-30-31(21)19-9-17(16-7-5-14(2)6-8-16)10-20(11-19)33-23(32)26-13-18-12-25-15(3)27-22(18)24/h5-12H,4,13H2,1-3H3,(H,26,32)(H2,24,25,27).
What are the key properties of [3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-[(4-amino-2-methylpyrimidin-5-yl)methyl]carbamate?
[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-[(4-amino-2-methylpyrimidin-5-yl)methyl]carbamate has a molecular weight of 444.50 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-[(4-amino-2-methylpyrimidin-5-yl)methyl]carbamate is sourced from PubChem (CID 122635658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).