[4-[5-methyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyrrol-2-yl] N-(2-hydroxy-1-phenylethyl)carbamate

C23H22N6O3 — CID 118221914

IUPAC[4-[5-methyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyrrol-2-yl] N-(2-hydroxy-1-phenylethyl)carbamate
SMILESCc1cnc(Nc2cccnc2)nc1-c1c[nH]c(OC(=O)NC(CO)c2ccccc2)c1
InChIInChI=1S/C23H22N6O3/c1-15-11-26-22(27-18-8-5-9-24-13-18)29-21(15)17-10-20(25-12-17)32-23(31)28-19(14-30)16-6-3-2-4-7-16/h2-13,19,25,30H,14H2,1H3,(H,28,31)(H,26,27,29)
InChIKeyJWHNAFDMPSCAOV-UHFFFAOYSA-N
MW430.47 g/mol
LogP3.74
Rot. Bonds7

About [4-[5-methyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyrrol-2-yl] N-(2-hydroxy-1-phenylethyl)carbamate

[4-[5-methyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyrrol-2-yl] N-(2-hydroxy-1-phenylethyl)carbamate (PubChem CID 118221914) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is [4-[5-methyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyrrol-2-yl] N-(2-hydroxy-1-phenylethyl)carbamate.

Molecular Properties

Compound Name[4-[5-methyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyrrol-2-yl] N-(2-hydroxy-1-phenylethyl)carbamate
PubChem CID118221914
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Name[4-[5-methyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyrrol-2-yl] N-(2-hydroxy-1-phenylethyl)carbamate
SMILESCc1cnc(Nc2cccnc2)nc1-c1c[nH]c(OC(=O)NC(CO)c2ccccc2)c1
InChIInChI=1S/C23H22N6O3/c1-15-11-26-22(27-18-8-5-9-24-13-18)29-21(15)17-10-20(25-12-17)32-23(31)28-19(14-30)16-6-3-2-4-7-16/h2-13,19,25,30H,14H2,1H3,(H,28,31)(H,26,27,29)
InChIKeyJWHNAFDMPSCAOV-UHFFFAOYSA-N
XLogP3.74
TPSA125.05 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 53.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze [4-[5-methyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyrrol-2-yl] N-(2-hydroxy-1-phenylethyl)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

N-(2-hydroxy-1-phenylethyl)-4-[5-methyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide
CID 90771343
[4-[5-methyl-2-(4-phenylmethoxyanilino)pyrimidin-4-yl]-1H-pyrrol-2-yl] N-(2-hydroxy-1-phenylethyl)carbamate
CID 118221796
[4-[2-(cyclopropylamino)-5-methylpyrimidin-4-yl]-1H-pyrrol-2-yl] N-(2-hydroxy-1-phenylethyl)carbamate
CID 118221857
[4-[2-(cyclopropylamino)-5-methylpyrimidin-4-yl]-1H-pyrrol-2-yl] N-[1-(3-chlorophenyl)-2-hydroxyethyl]carbamate
CID 118221797
[4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrol-2-yl] N-(1,3-dihydroxy-1-phenylpropan-2-yl)carbamate
CID 118221939
4-(2-acetamido-5-methylpyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide
CID 91899294
N-(2-hydroxy-1-phenylethyl)-4-[5-methyl-2-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide
CID 91180303
4-[2-[3-(hydroxymethyl)-2-methylanilino]-5-methylpyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide
CID 70701746
4-[2-(cyclopropylamino)-5-methylpyrimidin-4-yl]-N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide
CID 20729544
N-(2-hydroxy-1-phenylethyl)-4-[2-(2-hydroxypropylamino)-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carboxamide
CID 90825766
[4-[2-amino-5-(3,5-dichlorophenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl] N-(2-hydroxy-1-phenylethyl)carbamate
CID 118221889
N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(2-methylanilino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide
CID 75034278

Frequently Asked Questions

What is the IUPAC name of [4-[5-methyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyrrol-2-yl] N-(2-hydroxy-1-phenylethyl)carbamate?
The IUPAC name of [4-[5-methyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyrrol-2-yl] N-(2-hydroxy-1-phenylethyl)carbamate (CID 118221914) is [4-[5-methyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyrrol-2-yl] N-(2-hydroxy-1-phenylethyl)carbamate.
What is the SMILES notation for [4-[5-methyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyrrol-2-yl] N-(2-hydroxy-1-phenylethyl)carbamate?
The canonical SMILES for [4-[5-methyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyrrol-2-yl] N-(2-hydroxy-1-phenylethyl)carbamate is Cc1cnc(Nc2cccnc2)nc1-c1c[nH]c(OC(=O)NC(CO)c2ccccc2)c1.
What is the InChIKey of [4-[5-methyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyrrol-2-yl] N-(2-hydroxy-1-phenylethyl)carbamate?
The InChIKey is JWHNAFDMPSCAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c1-15-11-26-22(27-18-8-5-9-24-13-18)29-21(15)17-10-20(25-12-17)32-23(31)28-19(14-30)16-6-3-2-4-7-16/h2-13,19,25,30H,14H2,1H3,(H,28,31)(H,26,27,29).
What are the key properties of [4-[5-methyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyrrol-2-yl] N-(2-hydroxy-1-phenylethyl)carbamate?
[4-[5-methyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyrrol-2-yl] N-(2-hydroxy-1-phenylethyl)carbamate has a molecular weight of 430.47 g/mol, XLogP of 3.74, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-methyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyrrol-2-yl] N-(2-hydroxy-1-phenylethyl)carbamate is sourced from PubChem (CID 118221914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).