3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine

C22H24N8 — CID 167697841

IUPAC3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine
SMILESCc1cccc(-c2nccc(Cc3ccnc(Cc4cnn(CCCN)c4)n3)n2)n1
InChIInChI=1S/C22H24N8/c1-16-4-2-5-20(27-16)22-25-10-7-19(29-22)13-18-6-9-24-21(28-18)12-17-14-26-30(15-17)11-3-8-23/h2,4-7,9-10,14-15H,3,8,11-13,23H2,1H3
InChIKeyXXWGMXJRZJAWTL-UHFFFAOYSA-N
MW400.49 g/mol
LogP2.36
Rot. Bonds8

About 3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine

3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine (PubChem CID 167697841) has the molecular formula C22H24N8 and a molecular weight of 400.49 g/mol. Its IUPAC name is 3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine
PubChem CID167697841
Molecular FormulaC22H24N8
Molecular Weight400.49 g/mol
Exact Mass400.21
IUPAC Name3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine
SMILESCc1cccc(-c2nccc(Cc3ccnc(Cc4cnn(CCCN)c4)n3)n2)n1
InChIInChI=1S/C22H24N8/c1-16-4-2-5-20(27-16)22-25-10-7-19(29-22)13-18-6-9-24-21(28-18)12-17-14-26-30(15-17)11-3-8-23/h2,4-7,9-10,14-15H,3,8,11-13,23H2,1H3
InChIKeyXXWGMXJRZJAWTL-UHFFFAOYSA-N
XLogP2.36
TPSA108.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-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 3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine (CID 167697841) is 3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine is Cc1cccc(-c2nccc(Cc3ccnc(Cc4cnn(CCCN)c4)n3)n2)n1.
What is the InChIKey of 3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine?
The InChIKey is XXWGMXJRZJAWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8/c1-16-4-2-5-20(27-16)22-25-10-7-19(29-22)13-18-6-9-24-21(28-18)12-17-14-26-30(15-17)11-3-8-23/h2,4-7,9-10,14-15H,3,8,11-13,23H2,1H3.
What are the key properties of 3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine?
3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine has a molecular weight of 400.49 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine is sourced from PubChem (CID 167697841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).