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

C14H24N2 — CID 176827560

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 Name5-tert-butyl-2,4-di(propan-2-yl)pyrimidine
PubChem CID176827560
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name5-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
XLogP4.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2,4-di(propan-2-yl)pyrimidine
CID 121312283
4-tert-butyl-5-methyl-2-propan-2-ylpyrimidine
CID 139475198
2-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidine
CID 139481004
[2,4-di(propan-2-yl)pyrimidin-5-yl]methanamine
CID 82505175
4-tert-butyl-1-propan-2-ylisoquinoline
CID 170136172
4,5-dichloro-2-propan-2-ylpyrimidine
CID 58333528
6-tert-butyl-5-propan-2-yl-1H-imidazo[4,5-b]pyridine
CID 130438978
2,6-di(propan-2-yl)pyrido[3,4-d]pyrimidin-5-ol
CID 168817533
ethyl 2,4-di(propan-2-yl)pyrimidine-5-carboxylate
CID 22831820
5-propan-2-ylthiadiazolo[5,4-d]pyrimidine
CID 130231920
5-tert-butyl-3-chloro-2-propan-2-ylpyrazine
CID 154964886
(4-chloro-2-propan-2-ylpyrimidin-5-yl)methanamine
CID 83851947

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).