2-tert-butyl-4-[2-methyl-4-(6-propan-2-yl-2-pyridinyl)pentan-2-yl]pyrimidine

C22H33N3 — CID 155205005

IUPAC2-tert-butyl-4-[2-methyl-4-(6-propan-2-yl-2-pyridinyl)pentan-2-yl]pyrimidine
SMILESCC(C)c1cccc(C(C)CC(C)(C)c2ccnc(C(C)(C)C)n2)n1
InChIInChI=1S/C22H33N3/c1-15(2)17-10-9-11-18(24-17)16(3)14-22(7,8)19-12-13-23-20(25-19)21(4,5)6/h9-13,15-16H,14H2,1-8H3
InChIKeySTLRQCINQOOYQI-UHFFFAOYSA-N
MW339.53 g/mol
LogP5.76
Rot. Bonds5

About 2-tert-butyl-4-[2-methyl-4-(6-propan-2-yl-2-pyridinyl)pentan-2-yl]pyrimidine

2-tert-butyl-4-[2-methyl-4-(6-propan-2-yl-2-pyridinyl)pentan-2-yl]pyrimidine (PubChem CID 155205005) has the molecular formula C22H33N3 and a molecular weight of 339.53 g/mol. Its IUPAC name is 2-tert-butyl-4-[2-methyl-4-(6-propan-2-yl-2-pyridinyl)pentan-2-yl]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-[2-methyl-4-(6-propan-2-yl-2-pyridinyl)pentan-2-yl]pyrimidine
PubChem CID155205005
Molecular FormulaC22H33N3
Molecular Weight339.53 g/mol
Exact Mass339.27
IUPAC Name2-tert-butyl-4-[2-methyl-4-(6-propan-2-yl-2-pyridinyl)pentan-2-yl]pyrimidine
SMILESCC(C)c1cccc(C(C)CC(C)(C)c2ccnc(C(C)(C)C)n2)n1
InChIInChI=1S/C22H33N3/c1-15(2)17-10-9-11-18(24-17)16(3)14-22(7,8)19-12-13-23-20(25-19)21(4,5)6/h9-13,15-16H,14H2,1-8H3
InChIKeySTLRQCINQOOYQI-UHFFFAOYSA-N
XLogP5.76
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.53
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[2-methyl-4-(6-propan-2-yl-2-pyridinyl)pentan-2-yl]pyrimidine?
The IUPAC name of 2-tert-butyl-4-[2-methyl-4-(6-propan-2-yl-2-pyridinyl)pentan-2-yl]pyrimidine (CID 155205005) is 2-tert-butyl-4-[2-methyl-4-(6-propan-2-yl-2-pyridinyl)pentan-2-yl]pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-[2-methyl-4-(6-propan-2-yl-2-pyridinyl)pentan-2-yl]pyrimidine?
The canonical SMILES for 2-tert-butyl-4-[2-methyl-4-(6-propan-2-yl-2-pyridinyl)pentan-2-yl]pyrimidine is CC(C)c1cccc(C(C)CC(C)(C)c2ccnc(C(C)(C)C)n2)n1.
What is the InChIKey of 2-tert-butyl-4-[2-methyl-4-(6-propan-2-yl-2-pyridinyl)pentan-2-yl]pyrimidine?
The InChIKey is STLRQCINQOOYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3/c1-15(2)17-10-9-11-18(24-17)16(3)14-22(7,8)19-12-13-23-20(25-19)21(4,5)6/h9-13,15-16H,14H2,1-8H3.
What are the key properties of 2-tert-butyl-4-[2-methyl-4-(6-propan-2-yl-2-pyridinyl)pentan-2-yl]pyrimidine?
2-tert-butyl-4-[2-methyl-4-(6-propan-2-yl-2-pyridinyl)pentan-2-yl]pyrimidine has a molecular weight of 339.53 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[2-methyl-4-(6-propan-2-yl-2-pyridinyl)pentan-2-yl]pyrimidine is sourced from PubChem (CID 155205005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).