5-tert-butyl-2,4-di(propan-2-yl)pyrimidine

Name: 5-tert-butyl-2,4-di(propan-2-yl)pyrimidine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₂₄N₂ — CID 176827560

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5-tert-butyl-2,4-di(propan-2-yl)pyrimidine

SMILESCC(C)c1ncc(C(C)(C)C)c(C(C)C)n1

InChIInChI=1S/C14H24N2/c1-9(2)12-11(14(5,6)7)8-15-13(16-12)10(3)4/h8-10H,1-7H3

InChIKeySCDPHOKFEZJEAV-UHFFFAOYSA-N

MW220.36 g/mol

LogP4.02

Rot. Bonds2

About 5-tert-butyl-2,4-di(propan-2-yl)pyrimidine

5-tert-butyl-2,4-di(propan-2-yl)pyrimidine (PubChem CID 176827560) has the molecular formula C₁₄H₂₄N₂ and a molecular weight of 220.36 g/mol. Its IUPAC name is 5-tert-butyl-2,4-di(propan-2-yl)pyrimidine.

Molecular Properties

Compound Name	5-tert-butyl-2,4-di(propan-2-yl)pyrimidine
PubChem CID	176827560
Molecular Formula	C₁₄H₂₄N₂
Molecular Weight	220.36 g/mol
Exact Mass	220.19
IUPAC Name	5-tert-butyl-2,4-di(propan-2-yl)pyrimidine
SMILES	CC(C)c1ncc(C(C)(C)C)c(C(C)C)n1
InChI	InChI=1S/C14H24N2/c1-9(2)12-11(14(5,6)7)8-15-13(16-12)10(3)4/h8-10H,1-7H3
InChIKey	SCDPHOKFEZJEAV-UHFFFAOYSA-N
XLogP	4.02
TPSA	25.78 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	2
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	220.36
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,4-di(propan-2-yl)pyrimidine?

The IUPAC name of 5-tert-butyl-2,4-di(propan-2-yl)pyrimidine (CID 176827560) is 5-tert-butyl-2,4-di(propan-2-yl)pyrimidine.

What is the SMILES notation for 5-tert-butyl-2,4-di(propan-2-yl)pyrimidine?

The canonical SMILES for 5-tert-butyl-2,4-di(propan-2-yl)pyrimidine is CC(C)c1ncc(C(C)(C)C)c(C(C)C)n1.

What is the InChIKey of 5-tert-butyl-2,4-di(propan-2-yl)pyrimidine?

The InChIKey is SCDPHOKFEZJEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-9(2)12-11(14(5,6)7)8-15-13(16-12)10(3)4/h8-10H,1-7H3.

What are the key properties of 5-tert-butyl-2,4-di(propan-2-yl)pyrimidine?

5-tert-butyl-2,4-di(propan-2-yl)pyrimidine has a molecular weight of 220.36 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-2,4-di(propan-2-yl)pyrimidine is sourced from PubChem (CID 176827560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 176827560 — identifiers, structure, computed properties (public domain)

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