2-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-4-(2-pyrimidin-5-ylpropyl)pyrimidine

C22H27N5 — CID 155076697

IUPAC2-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-4-(2-pyrimidin-5-ylpropyl)pyrimidine
SMILESCC(C)c1ccnc(CC(C)c2nccc(CC(C)c3cncnc3)n2)c1
InChIInChI=1S/C22H27N5/c1-15(2)18-5-7-25-21(11-18)10-17(4)22-26-8-6-20(27-22)9-16(3)19-12-23-14-24-13-19/h5-8,11-17H,9-10H2,1-4H3
InChIKeyNHBIRIKJRIQHEH-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.48
Rot. Bonds7

About 2-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-4-(2-pyrimidin-5-ylpropyl)pyrimidine

2-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-4-(2-pyrimidin-5-ylpropyl)pyrimidine (PubChem CID 155076697) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-4-(2-pyrimidin-5-ylpropyl)pyrimidine.

Molecular Properties

Compound Name2-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-4-(2-pyrimidin-5-ylpropyl)pyrimidine
PubChem CID155076697
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name2-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-4-(2-pyrimidin-5-ylpropyl)pyrimidine
SMILESCC(C)c1ccnc(CC(C)c2nccc(CC(C)c3cncnc3)n2)c1
InChIInChI=1S/C22H27N5/c1-15(2)18-5-7-25-21(11-18)10-17(4)22-26-8-6-20(27-22)9-16(3)19-12-23-14-24-13-19/h5-8,11-17H,9-10H2,1-4H3
InChIKeyNHBIRIKJRIQHEH-UHFFFAOYSA-N
XLogP4.48
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-4-(2-pyrimidin-5-ylpropyl)pyrimidine 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-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-4-(2-pyrimidin-5-ylpropyl)pyrimidine?
The IUPAC name of 2-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-4-(2-pyrimidin-5-ylpropyl)pyrimidine (CID 155076697) is 2-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-4-(2-pyrimidin-5-ylpropyl)pyrimidine.
What is the SMILES notation for 2-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-4-(2-pyrimidin-5-ylpropyl)pyrimidine?
The canonical SMILES for 2-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-4-(2-pyrimidin-5-ylpropyl)pyrimidine is CC(C)c1ccnc(CC(C)c2nccc(CC(C)c3cncnc3)n2)c1.
What is the InChIKey of 2-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-4-(2-pyrimidin-5-ylpropyl)pyrimidine?
The InChIKey is NHBIRIKJRIQHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-15(2)18-5-7-25-21(11-18)10-17(4)22-26-8-6-20(27-22)9-16(3)19-12-23-14-24-13-19/h5-8,11-17H,9-10H2,1-4H3.
What are the key properties of 2-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-4-(2-pyrimidin-5-ylpropyl)pyrimidine?
2-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-4-(2-pyrimidin-5-ylpropyl)pyrimidine has a molecular weight of 361.49 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-4-(2-pyrimidin-5-ylpropyl)pyrimidine is sourced from PubChem (CID 155076697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).