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

C11H20N2 — CID 137444781

IUPAC4-methyl-4,5-di(propan-2-yl)-1H-pyrimidine
SMILESCC(C)C1=CNC=NC1(C)C(C)C
InChIInChI=1S/C11H20N2/c1-8(2)10-6-12-7-13-11(10,5)9(3)4/h6-9H,1-5H3,(H,12,13)
InChIKeyVIIOYXBLJHUBSO-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.57
Rot. Bonds2

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

4-methyl-4,5-di(propan-2-yl)-1H-pyrimidine (PubChem CID 137444781) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-methyl-4,5-di(propan-2-yl)-1H-pyrimidine.

Molecular Properties

Compound Name4-methyl-4,5-di(propan-2-yl)-1H-pyrimidine
PubChem CID137444781
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name4-methyl-4,5-di(propan-2-yl)-1H-pyrimidine
SMILESCC(C)C1=CNC=NC1(C)C(C)C
InChIInChI=1S/C11H20N2/c1-8(2)10-6-12-7-13-11(10,5)9(3)4/h6-9H,1-5H3,(H,12,13)
InChIKeyVIIOYXBLJHUBSO-UHFFFAOYSA-N
XLogP2.57
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4,5-di(propan-2-yl)-1H-pyrimidine?
The IUPAC name of 4-methyl-4,5-di(propan-2-yl)-1H-pyrimidine (CID 137444781) is 4-methyl-4,5-di(propan-2-yl)-1H-pyrimidine.
What is the SMILES notation for 4-methyl-4,5-di(propan-2-yl)-1H-pyrimidine?
The canonical SMILES for 4-methyl-4,5-di(propan-2-yl)-1H-pyrimidine is CC(C)C1=CNC=NC1(C)C(C)C.
What is the InChIKey of 4-methyl-4,5-di(propan-2-yl)-1H-pyrimidine?
The InChIKey is VIIOYXBLJHUBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-8(2)10-6-12-7-13-11(10,5)9(3)4/h6-9H,1-5H3,(H,12,13).
What are the key properties of 4-methyl-4,5-di(propan-2-yl)-1H-pyrimidine?
4-methyl-4,5-di(propan-2-yl)-1H-pyrimidine has a molecular weight of 180.29 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4,5-di(propan-2-yl)-1H-pyrimidine is sourced from PubChem (CID 137444781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).