2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenol

C22H23N3O — CID 127024670

IUPAC2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenol
SMILESCc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc(C)c(O)c2)n1
InChIInChI=1S/C22H23N3O/c1-14-10-11-17(12-21(14)26)20-13-22(24-15(2)23-20)25-19-9-5-7-16-6-3-4-8-18(16)19/h3-4,6,8,10-13,19,26H,5,7,9H2,1-2H3,(H,23,24,25)/t19-/m1/s1
InChIKeyUWCSELKIQADADP-LJQANCHMSA-N
MW345.45 g/mol
LogP4.96
Rot. Bonds3

About 2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenol

2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenol (PubChem CID 127024670) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenol
PubChem CID127024670
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenol
SMILESCc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc(C)c(O)c2)n1
InChIInChI=1S/C22H23N3O/c1-14-10-11-17(12-21(14)26)20-13-22(24-15(2)23-20)25-19-9-5-7-16-6-3-4-8-18(16)19/h3-4,6,8,10-13,19,26H,5,7,9H2,1-2H3,(H,23,24,25)/t19-/m1/s1
InChIKeyUWCSELKIQADADP-LJQANCHMSA-N
XLogP4.96
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenol?
The IUPAC name of 2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenol (CID 127024670) is 2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenol.
What is the SMILES notation for 2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenol?
The canonical SMILES for 2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenol is Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc(C)c(O)c2)n1.
What is the InChIKey of 2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenol?
The InChIKey is UWCSELKIQADADP-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23N3O/c1-14-10-11-17(12-21(14)26)20-13-22(24-15(2)23-20)25-19-9-5-7-16-6-3-4-8-18(16)19/h3-4,6,8,10-13,19,26H,5,7,9H2,1-2H3,(H,23,24,25)/t19-/m1/s1.
What are the key properties of 2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenol?
2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenol has a molecular weight of 345.45 g/mol, XLogP of 4.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenol is sourced from PubChem (CID 127024670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).