5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(oxetan-3-ylmethyl)pyrimidin-4-amine

C22H23N7O — CID 121357768

IUPAC5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(oxetan-3-ylmethyl)pyrimidin-4-amine
SMILESCn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4COC4)n3)c2)cn1
InChIInChI=1S/C22H23N7O/c1-28-11-18(8-25-28)16-4-3-5-17(6-16)21-24-10-20(19-9-26-29(2)12-19)22(27-21)23-7-15-13-30-14-15/h3-6,8-12,15H,7,13-14H2,1-2H3,(H,23,24,27)
InChIKeyWQIRIBWOZRJVTK-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.00
Rot. Bonds6

About 5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(oxetan-3-ylmethyl)pyrimidin-4-amine

5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(oxetan-3-ylmethyl)pyrimidin-4-amine (PubChem CID 121357768) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(oxetan-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(oxetan-3-ylmethyl)pyrimidin-4-amine
PubChem CID121357768
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(oxetan-3-ylmethyl)pyrimidin-4-amine
SMILESCn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4COC4)n3)c2)cn1
InChIInChI=1S/C22H23N7O/c1-28-11-18(8-25-28)16-4-3-5-17(6-16)21-24-10-20(19-9-26-29(2)12-19)22(27-21)23-7-15-13-30-14-15/h3-6,8-12,15H,7,13-14H2,1-2H3,(H,23,24,27)
InChIKeyWQIRIBWOZRJVTK-UHFFFAOYSA-N
XLogP3.00
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(oxetan-3-ylmethyl)pyrimidin-4-amine 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 5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(oxetan-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(oxetan-3-ylmethyl)pyrimidin-4-amine (CID 121357768) is 5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(oxetan-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(oxetan-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(oxetan-3-ylmethyl)pyrimidin-4-amine is Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4COC4)n3)c2)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(oxetan-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is WQIRIBWOZRJVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-28-11-18(8-25-28)16-4-3-5-17(6-16)21-24-10-20(19-9-26-29(2)12-19)22(27-21)23-7-15-13-30-14-15/h3-6,8-12,15H,7,13-14H2,1-2H3,(H,23,24,27).
What are the key properties of 5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(oxetan-3-ylmethyl)pyrimidin-4-amine?
5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(oxetan-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 401.47 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(oxetan-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 121357768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).