2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);5-propan-2-ylpyrimidine

C35H50N10 — CID 159400797

IUPAC2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);5-propan-2-ylpyrimidine
SMILESCC(C)c1cccnn1.CC(C)c1ccnnc1.CC(C)c1ccnnc1.CC(C)c1cnccn1.CC(C)c1cncnc1
InChIInChI=1S/5C7H10N2/c1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;2*1-6(2)7-3-4-8-9-5-7;1-6(2)7-4-3-5-8-9-7/h5*3-6H,1-2H3
InChIKeyLNHUYRZIAVXWOF-UHFFFAOYSA-N
MW610.86 g/mol
LogP8.00
Rot. Bonds5

About 2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);5-propan-2-ylpyrimidine

2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);5-propan-2-ylpyrimidine (PubChem CID 159400797) has the molecular formula C35H50N10 and a molecular weight of 610.86 g/mol. Its IUPAC name is 2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);5-propan-2-ylpyrimidine
PubChem CID159400797
Molecular FormulaC35H50N10
Molecular Weight610.86 g/mol
Exact Mass610.42
IUPAC Name2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);5-propan-2-ylpyrimidine
SMILESCC(C)c1cccnn1.CC(C)c1ccnnc1.CC(C)c1ccnnc1.CC(C)c1cnccn1.CC(C)c1cncnc1
InChIInChI=1S/5C7H10N2/c1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;2*1-6(2)7-3-4-8-9-5-7;1-6(2)7-4-3-5-8-9-7/h5*3-6H,1-2H3
InChIKeyLNHUYRZIAVXWOF-UHFFFAOYSA-N
XLogP8.00
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.86
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

cumene;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine
CID 159892681
2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole
CID 159702479
ethane;4-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);tris(3-propan-2-ylpyridine);bis(4-propan-2-ylpyridine);4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 159364646
ethane;methane;2-propan-2-ylpyrazine;3-propan-2-ylpyridine
CID 161329033
2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine
CID 157089841
ethane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine
CID 159241215
2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;3-propan-2-yl-1,2,4-triazine
CID 159505625
bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine)
CID 158875666
ethane;methane;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 159280062
2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 155572043
ethane;2-propan-2-ylpyrazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;tetrakis(1,1,1-trifluoroethane)
CID 160927620
2-tert-butylpyrazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;cumene;ethane;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 161423252

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);5-propan-2-ylpyrimidine?
The IUPAC name of 2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);5-propan-2-ylpyrimidine (CID 159400797) is 2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);5-propan-2-ylpyrimidine.
What is the SMILES notation for 2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);5-propan-2-ylpyrimidine?
The canonical SMILES for 2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);5-propan-2-ylpyrimidine is CC(C)c1cccnn1.CC(C)c1ccnnc1.CC(C)c1ccnnc1.CC(C)c1cnccn1.CC(C)c1cncnc1.
What is the InChIKey of 2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);5-propan-2-ylpyrimidine?
The InChIKey is LNHUYRZIAVXWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/5C7H10N2/c1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;2*1-6(2)7-3-4-8-9-5-7;1-6(2)7-4-3-5-8-9-7/h5*3-6H,1-2H3.
What are the key properties of 2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);5-propan-2-ylpyrimidine?
2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);5-propan-2-ylpyrimidine has a molecular weight of 610.86 g/mol, XLogP of 8.00, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);5-propan-2-ylpyrimidine is sourced from PubChem (CID 159400797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).