5-methyl-2-(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)pyrimidine

C12H16N4 — CID 159290723

IUPAC5-methyl-2-(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)pyrimidine
SMILESCc1cnc(-c2nc(C(C)C)[nH]c2C)nc1
InChIInChI=1S/C12H16N4/c1-7(2)11-15-9(4)10(16-11)12-13-5-8(3)6-14-12/h5-7H,1-4H3,(H,15,16)
InChIKeyTUPWLFQTYPLKOZ-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.61
Rot. Bonds2

About 5-methyl-2-(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)pyrimidine

5-methyl-2-(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)pyrimidine (PubChem CID 159290723) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 5-methyl-2-(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)pyrimidine.

Molecular Properties

Compound Name5-methyl-2-(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)pyrimidine
PubChem CID159290723
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name5-methyl-2-(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)pyrimidine
SMILESCc1cnc(-c2nc(C(C)C)[nH]c2C)nc1
InChIInChI=1S/C12H16N4/c1-7(2)11-15-9(4)10(16-11)12-13-5-8(3)6-14-12/h5-7H,1-4H3,(H,15,16)
InChIKeyTUPWLFQTYPLKOZ-UHFFFAOYSA-N
XLogP2.61
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)pyrimidine?
The IUPAC name of 5-methyl-2-(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)pyrimidine (CID 159290723) is 5-methyl-2-(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)pyrimidine.
What is the SMILES notation for 5-methyl-2-(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)pyrimidine?
The canonical SMILES for 5-methyl-2-(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)pyrimidine is Cc1cnc(-c2nc(C(C)C)[nH]c2C)nc1.
What is the InChIKey of 5-methyl-2-(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)pyrimidine?
The InChIKey is TUPWLFQTYPLKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-7(2)11-15-9(4)10(16-11)12-13-5-8(3)6-14-12/h5-7H,1-4H3,(H,15,16).
What are the key properties of 5-methyl-2-(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)pyrimidine?
5-methyl-2-(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)pyrimidine has a molecular weight of 216.29 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)pyrimidine is sourced from PubChem (CID 159290723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).