5-tert-butyl-4-cyclopropyl-6-methoxypyrimidine

C12H18N2O — CID 156675333

IUPAC5-tert-butyl-4-cyclopropyl-6-methoxypyrimidine
SMILESCOc1ncnc(C2CC2)c1C(C)(C)C
InChIInChI=1S/C12H18N2O/c1-12(2,3)9-10(8-5-6-8)13-7-14-11(9)15-4/h7-8H,5-6H2,1-4H3
InChIKeyMNQSMMSEKJKUPP-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.66
Rot. Bonds2

About 5-tert-butyl-4-cyclopropyl-6-methoxypyrimidine

5-tert-butyl-4-cyclopropyl-6-methoxypyrimidine (PubChem CID 156675333) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-tert-butyl-4-cyclopropyl-6-methoxypyrimidine.

Molecular Properties

Compound Name5-tert-butyl-4-cyclopropyl-6-methoxypyrimidine
PubChem CID156675333
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name5-tert-butyl-4-cyclopropyl-6-methoxypyrimidine
SMILESCOc1ncnc(C2CC2)c1C(C)(C)C
InChIInChI=1S/C12H18N2O/c1-12(2,3)9-10(8-5-6-8)13-7-14-11(9)15-4/h7-8H,5-6H2,1-4H3
InChIKeyMNQSMMSEKJKUPP-UHFFFAOYSA-N
XLogP2.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-cyclopropyl-6-methoxypyrimidine?
The IUPAC name of 5-tert-butyl-4-cyclopropyl-6-methoxypyrimidine (CID 156675333) is 5-tert-butyl-4-cyclopropyl-6-methoxypyrimidine.
What is the SMILES notation for 5-tert-butyl-4-cyclopropyl-6-methoxypyrimidine?
The canonical SMILES for 5-tert-butyl-4-cyclopropyl-6-methoxypyrimidine is COc1ncnc(C2CC2)c1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4-cyclopropyl-6-methoxypyrimidine?
The InChIKey is MNQSMMSEKJKUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(2,3)9-10(8-5-6-8)13-7-14-11(9)15-4/h7-8H,5-6H2,1-4H3.
What are the key properties of 5-tert-butyl-4-cyclopropyl-6-methoxypyrimidine?
5-tert-butyl-4-cyclopropyl-6-methoxypyrimidine has a molecular weight of 206.29 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-cyclopropyl-6-methoxypyrimidine is sourced from PubChem (CID 156675333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).