5-tert-butyl-4-cyclopentylpyrimidine

C13H20N2 — CID 89458295

IUPAC5-tert-butyl-4-cyclopentylpyrimidine
SMILESCC(C)(C)c1cncnc1C1CCCC1
InChIInChI=1S/C13H20N2/c1-13(2,3)11-8-14-9-15-12(11)10-6-4-5-7-10/h8-10H,4-7H2,1-3H3
InChIKeyBTYQSSWJUKBZNG-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.43
Rot. Bonds1

About 5-tert-butyl-4-cyclopentylpyrimidine

5-tert-butyl-4-cyclopentylpyrimidine (PubChem CID 89458295) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 5-tert-butyl-4-cyclopentylpyrimidine.

Molecular Properties

Compound Name5-tert-butyl-4-cyclopentylpyrimidine
PubChem CID89458295
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name5-tert-butyl-4-cyclopentylpyrimidine
SMILESCC(C)(C)c1cncnc1C1CCCC1
InChIInChI=1S/C13H20N2/c1-13(2,3)11-8-14-9-15-12(11)10-6-4-5-7-10/h8-10H,4-7H2,1-3H3
InChIKeyBTYQSSWJUKBZNG-UHFFFAOYSA-N
XLogP3.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-4-cyclopropyl-2-methoxypyrimidine
CID 177068603
5-tert-butyl-4-methoxypyrimidine
CID 58432984
cis-(1S,2R)-2-[4-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]cyclohexan-1-ol
CID 125026350
(4-cyclopropylpyrimidin-5-yl)methanol
CID 126972771
4-cyclobutyl-5-piperazin-1-ylpyrimidine
CID 117211014
2-cyclooctyl-1,3,5-triazine
CID 68552573
(6aS,10aS)-5,6,6a,7,8,9,10,10a-octahydropyrimido[5,4-c]quinoline
CID 125451162
ethyl 4-cyclopropylpyrimidine-5-carboxylate
CID 22831718
5-methylsulfonyl-4-piperidin-4-ylpyrimidine;dihydrochloride
CID 71298737
5-tert-butyl-2-cyclohexylpyridine
CID 58094026
4-cyclohexyloxy-5-(trifluoromethyl)pyrimidine
CID 174643760
5,8-ditert-butylquinazoline
CID 20760010

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-cyclopentylpyrimidine?
The IUPAC name of 5-tert-butyl-4-cyclopentylpyrimidine (CID 89458295) is 5-tert-butyl-4-cyclopentylpyrimidine.
What is the SMILES notation for 5-tert-butyl-4-cyclopentylpyrimidine?
The canonical SMILES for 5-tert-butyl-4-cyclopentylpyrimidine is CC(C)(C)c1cncnc1C1CCCC1.
What is the InChIKey of 5-tert-butyl-4-cyclopentylpyrimidine?
The InChIKey is BTYQSSWJUKBZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-13(2,3)11-8-14-9-15-12(11)10-6-4-5-7-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 5-tert-butyl-4-cyclopentylpyrimidine?
5-tert-butyl-4-cyclopentylpyrimidine has a molecular weight of 204.32 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-cyclopentylpyrimidine is sourced from PubChem (CID 89458295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).