4-propan-2-yl-6-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]pyrimidine

C21H31N3 — CID 130227799

IUPAC4-propan-2-yl-6-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]pyrimidine
SMILESCC(C)c1ccnc(C(C)CCC(C)c2cc(C(C)C)ncn2)c1
InChIInChI=1S/C21H31N3/c1-14(2)18-9-10-22-20(11-18)16(5)7-8-17(6)21-12-19(15(3)4)23-13-24-21/h9-17H,7-8H2,1-6H3
InChIKeyZZJUIQWPFJAHIQ-UHFFFAOYSA-N
MW325.50 g/mol
LogP5.81
Rot. Bonds7

About 4-propan-2-yl-6-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]pyrimidine

4-propan-2-yl-6-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]pyrimidine (PubChem CID 130227799) has the molecular formula C21H31N3 and a molecular weight of 325.50 g/mol. Its IUPAC name is 4-propan-2-yl-6-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]pyrimidine.

Molecular Properties

Compound Name4-propan-2-yl-6-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]pyrimidine
PubChem CID130227799
Molecular FormulaC21H31N3
Molecular Weight325.50 g/mol
Exact Mass325.25
IUPAC Name4-propan-2-yl-6-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]pyrimidine
SMILESCC(C)c1ccnc(C(C)CCC(C)c2cc(C(C)C)ncn2)c1
InChIInChI=1S/C21H31N3/c1-14(2)18-9-10-22-20(11-18)16(5)7-8-17(6)21-12-19(15(3)4)23-13-24-21/h9-17H,7-8H2,1-6H3
InChIKeyZZJUIQWPFJAHIQ-UHFFFAOYSA-N
XLogP5.81
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-propan-2-yl-6-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]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 4-propan-2-yl-6-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]pyrimidine?
The IUPAC name of 4-propan-2-yl-6-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]pyrimidine (CID 130227799) is 4-propan-2-yl-6-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]pyrimidine.
What is the SMILES notation for 4-propan-2-yl-6-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]pyrimidine?
The canonical SMILES for 4-propan-2-yl-6-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]pyrimidine is CC(C)c1ccnc(C(C)CCC(C)c2cc(C(C)C)ncn2)c1.
What is the InChIKey of 4-propan-2-yl-6-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]pyrimidine?
The InChIKey is ZZJUIQWPFJAHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3/c1-14(2)18-9-10-22-20(11-18)16(5)7-8-17(6)21-12-19(15(3)4)23-13-24-21/h9-17H,7-8H2,1-6H3.
What are the key properties of 4-propan-2-yl-6-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]pyrimidine?
4-propan-2-yl-6-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]pyrimidine has a molecular weight of 325.50 g/mol, XLogP of 5.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-6-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]pyrimidine is sourced from PubChem (CID 130227799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).