4-(2,2-dimethylpropyl)-2-(2-methyl-2-methylsulfanylpropyl)pyrimidine

Name: 4-(2,2-dimethylpropyl)-2-(2-methyl-2-methylsulfanylpropyl)pyrimidine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₂₄N₂S — CID 139483154

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

IUPAC4-(2,2-dimethylpropyl)-2-(2-methyl-2-methylsulfanylpropyl)pyrimidine

SMILESCSC(C)(C)Cc1nccc(CC(C)(C)C)n1

InChIInChI=1S/C14H24N2S/c1-13(2,3)9-11-7-8-15-12(16-11)10-14(4,5)17-6/h7-8H,9-10H2,1-6H3

InChIKeyMOGCPCCHFUQHAK-UHFFFAOYSA-N

MW252.43 g/mol

LogP3.75

Rot. Bonds4

About 4-(2,2-dimethylpropyl)-2-(2-methyl-2-methylsulfanylpropyl)pyrimidine

4-(2,2-dimethylpropyl)-2-(2-methyl-2-methylsulfanylpropyl)pyrimidine (PubChem CID 139483154) has the molecular formula C₁₄H₂₄N₂S and a molecular weight of 252.43 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-2-(2-methyl-2-methylsulfanylpropyl)pyrimidine.

Molecular Properties

Compound Name	4-(2,2-dimethylpropyl)-2-(2-methyl-2-methylsulfanylpropyl)pyrimidine
PubChem CID	139483154
Molecular Formula	C₁₄H₂₄N₂S
Molecular Weight	252.43 g/mol
Exact Mass	252.17
IUPAC Name	4-(2,2-dimethylpropyl)-2-(2-methyl-2-methylsulfanylpropyl)pyrimidine
SMILES	CSC(C)(C)Cc1nccc(CC(C)(C)C)n1
InChI	InChI=1S/C14H24N2S/c1-13(2,3)9-11-7-8-15-12(16-11)10-14(4,5)17-6/h7-8H,9-10H2,1-6H3
InChIKey	MOGCPCCHFUQHAK-UHFFFAOYSA-N
XLogP	3.75
TPSA	25.78 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	252.43
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-2-(2-methyl-2-methylsulfanylpropyl)pyrimidine?

The IUPAC name of 4-(2,2-dimethylpropyl)-2-(2-methyl-2-methylsulfanylpropyl)pyrimidine (CID 139483154) is 4-(2,2-dimethylpropyl)-2-(2-methyl-2-methylsulfanylpropyl)pyrimidine.

What is the SMILES notation for 4-(2,2-dimethylpropyl)-2-(2-methyl-2-methylsulfanylpropyl)pyrimidine?

The canonical SMILES for 4-(2,2-dimethylpropyl)-2-(2-methyl-2-methylsulfanylpropyl)pyrimidine is CSC(C)(C)Cc1nccc(CC(C)(C)C)n1.

What is the InChIKey of 4-(2,2-dimethylpropyl)-2-(2-methyl-2-methylsulfanylpropyl)pyrimidine?

The InChIKey is MOGCPCCHFUQHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-13(2,3)9-11-7-8-15-12(16-11)10-14(4,5)17-6/h7-8H,9-10H2,1-6H3.

What are the key properties of 4-(2,2-dimethylpropyl)-2-(2-methyl-2-methylsulfanylpropyl)pyrimidine?

4-(2,2-dimethylpropyl)-2-(2-methyl-2-methylsulfanylpropyl)pyrimidine has a molecular weight of 252.43 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,2-dimethylpropyl)-2-(2-methyl-2-methylsulfanylpropyl)pyrimidine is sourced from PubChem (CID 139483154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 139483154 — identifiers, structure, computed properties (public domain)

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