3-[2-methyl-6-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethylamino]pyrimidin-4-yl]phenol

C23H23N5O — CID 70977730

IUPAC3-[2-methyl-6-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethylamino]pyrimidin-4-yl]phenol
SMILESCc1nc(NC(C)c2cccc(-c3cnn(C)c3)c2)cc(-c2cccc(O)c2)n1
InChIInChI=1S/C23H23N5O/c1-15(17-6-4-7-18(10-17)20-13-24-28(3)14-20)25-23-12-22(26-16(2)27-23)19-8-5-9-21(29)11-19/h4-15,29H,1-3H3,(H,25,26,27)
InChIKeyRNADMZJUPPSEGX-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.73
Rot. Bonds5

About 3-[2-methyl-6-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethylamino]pyrimidin-4-yl]phenol

3-[2-methyl-6-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethylamino]pyrimidin-4-yl]phenol (PubChem CID 70977730) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-[2-methyl-6-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethylamino]pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name3-[2-methyl-6-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethylamino]pyrimidin-4-yl]phenol
PubChem CID70977730
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name3-[2-methyl-6-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethylamino]pyrimidin-4-yl]phenol
SMILESCc1nc(NC(C)c2cccc(-c3cnn(C)c3)c2)cc(-c2cccc(O)c2)n1
InChIInChI=1S/C23H23N5O/c1-15(17-6-4-7-18(10-17)20-13-24-28(3)14-20)25-23-12-22(26-16(2)27-23)19-8-5-9-21(29)11-19/h4-15,29H,1-3H3,(H,25,26,27)
InChIKeyRNADMZJUPPSEGX-UHFFFAOYSA-N
XLogP4.73
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[2-methyl-6-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethylamino]pyrimidin-4-yl]phenol 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

Crt 0066101
CID 136189563
3-(4-Azanyl-1-propan-2-YL-pyrazolo(3,4-D)pyrimidin-3-YL)phenol
CID 24905143
(S)-2-(3-(3-hydroxy-5-methylphenyl)-4-(6-(2-hydroxypropylamino)-2-(pyridin-3-yl)pyrimidin-4-yl)-1H-pyrazol-1-yl)acetonitrile
CID 44517769
3-((4-amino-1-tert-butyl-1H-pyrazolo(3,4-d)pyrimidin-3-yl)methyl)phenol
CID 16750071
5-(4-amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol
CID 24905302
5-(4-amino-1-(3-methylcyclopentyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol
CID 24905315
(R)-3-(2-(pyridin-4-yl)-7-(4-(quinuclidin-3-ylamino)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880074
2-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708238
3-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708239
3-(7-Amino-3-(4-(4-methylpiperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-6-yl)phenol
CID 11188787
2-Amino-5-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenol
CID 24905252
5-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol
CID 24905280

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-6-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethylamino]pyrimidin-4-yl]phenol?
The IUPAC name of 3-[2-methyl-6-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethylamino]pyrimidin-4-yl]phenol (CID 70977730) is 3-[2-methyl-6-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethylamino]pyrimidin-4-yl]phenol.
What is the SMILES notation for 3-[2-methyl-6-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethylamino]pyrimidin-4-yl]phenol?
The canonical SMILES for 3-[2-methyl-6-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethylamino]pyrimidin-4-yl]phenol is Cc1nc(NC(C)c2cccc(-c3cnn(C)c3)c2)cc(-c2cccc(O)c2)n1.
What is the InChIKey of 3-[2-methyl-6-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethylamino]pyrimidin-4-yl]phenol?
The InChIKey is RNADMZJUPPSEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-15(17-6-4-7-18(10-17)20-13-24-28(3)14-20)25-23-12-22(26-16(2)27-23)19-8-5-9-21(29)11-19/h4-15,29H,1-3H3,(H,25,26,27).
What are the key properties of 3-[2-methyl-6-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethylamino]pyrimidin-4-yl]phenol?
3-[2-methyl-6-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethylamino]pyrimidin-4-yl]phenol has a molecular weight of 385.47 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-6-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethylamino]pyrimidin-4-yl]phenol is sourced from PubChem (CID 70977730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).