4-(4-cyclopropyl-3,3-dimethylbutyl)-2-(2,2-dimethylpropyl)pyrimidine

C18H30N2 — CID 129212607

IUPAC4-(4-cyclopropyl-3,3-dimethylbutyl)-2-(2,2-dimethylpropyl)pyrimidine
SMILESCC(C)(C)Cc1nccc(CCC(C)(C)CC2CC2)n1
InChIInChI=1S/C18H30N2/c1-17(2,3)13-16-19-11-9-15(20-16)8-10-18(4,5)12-14-6-7-14/h9,11,14H,6-8,10,12-13H2,1-5H3
InChIKeyUXTVHNFOPPDIQC-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.82
Rot. Bonds6

About 4-(4-cyclopropyl-3,3-dimethylbutyl)-2-(2,2-dimethylpropyl)pyrimidine

4-(4-cyclopropyl-3,3-dimethylbutyl)-2-(2,2-dimethylpropyl)pyrimidine (PubChem CID 129212607) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 4-(4-cyclopropyl-3,3-dimethylbutyl)-2-(2,2-dimethylpropyl)pyrimidine.

Molecular Properties

Compound Name4-(4-cyclopropyl-3,3-dimethylbutyl)-2-(2,2-dimethylpropyl)pyrimidine
PubChem CID129212607
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name4-(4-cyclopropyl-3,3-dimethylbutyl)-2-(2,2-dimethylpropyl)pyrimidine
SMILESCC(C)(C)Cc1nccc(CCC(C)(C)CC2CC2)n1
InChIInChI=1S/C18H30N2/c1-17(2,3)13-16-19-11-9-15(20-16)8-10-18(4,5)12-14-6-7-14/h9,11,14H,6-8,10,12-13H2,1-5H3
InChIKeyUXTVHNFOPPDIQC-UHFFFAOYSA-N
XLogP4.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropyl-3,3-dimethylbutyl)-2-(2,2-dimethylpropyl)pyrimidine?
The IUPAC name of 4-(4-cyclopropyl-3,3-dimethylbutyl)-2-(2,2-dimethylpropyl)pyrimidine (CID 129212607) is 4-(4-cyclopropyl-3,3-dimethylbutyl)-2-(2,2-dimethylpropyl)pyrimidine.
What is the SMILES notation for 4-(4-cyclopropyl-3,3-dimethylbutyl)-2-(2,2-dimethylpropyl)pyrimidine?
The canonical SMILES for 4-(4-cyclopropyl-3,3-dimethylbutyl)-2-(2,2-dimethylpropyl)pyrimidine is CC(C)(C)Cc1nccc(CCC(C)(C)CC2CC2)n1.
What is the InChIKey of 4-(4-cyclopropyl-3,3-dimethylbutyl)-2-(2,2-dimethylpropyl)pyrimidine?
The InChIKey is UXTVHNFOPPDIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-17(2,3)13-16-19-11-9-15(20-16)8-10-18(4,5)12-14-6-7-14/h9,11,14H,6-8,10,12-13H2,1-5H3.
What are the key properties of 4-(4-cyclopropyl-3,3-dimethylbutyl)-2-(2,2-dimethylpropyl)pyrimidine?
4-(4-cyclopropyl-3,3-dimethylbutyl)-2-(2,2-dimethylpropyl)pyrimidine has a molecular weight of 274.45 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropyl-3,3-dimethylbutyl)-2-(2,2-dimethylpropyl)pyrimidine is sourced from PubChem (CID 129212607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).