6-tert-butyl-1,2-dimethyl-4-propan-2-yl-2H-pyrimidine;ethane

C15H30N2 — CID 153395926

IUPAC6-tert-butyl-1,2-dimethyl-4-propan-2-yl-2H-pyrimidine;ethane
SMILESCC.CC(C)C1=NC(C)N(C)C(C(C)(C)C)=C1
InChIInChI=1S/C13H24N2.C2H6/c1-9(2)11-8-12(13(4,5)6)15(7)10(3)14-11;1-2/h8-10H,1-7H3;1-2H3
InChIKeyVVWMMSXPWGPCNF-UHFFFAOYSA-N
MW238.42 g/mol
LogP4.33
Rot. Bonds1

About 6-tert-butyl-1,2-dimethyl-4-propan-2-yl-2H-pyrimidine;ethane

6-tert-butyl-1,2-dimethyl-4-propan-2-yl-2H-pyrimidine;ethane (PubChem CID 153395926) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 6-tert-butyl-1,2-dimethyl-4-propan-2-yl-2H-pyrimidine;ethane.

Molecular Properties

Compound Name6-tert-butyl-1,2-dimethyl-4-propan-2-yl-2H-pyrimidine;ethane
PubChem CID153395926
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name6-tert-butyl-1,2-dimethyl-4-propan-2-yl-2H-pyrimidine;ethane
SMILESCC.CC(C)C1=NC(C)N(C)C(C(C)(C)C)=C1
InChIInChI=1S/C13H24N2.C2H6/c1-9(2)11-8-12(13(4,5)6)15(7)10(3)14-11;1-2/h8-10H,1-7H3;1-2H3
InChIKeyVVWMMSXPWGPCNF-UHFFFAOYSA-N
XLogP4.33
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,2-dimethyl-4-propan-2-yl-2H-pyrimidine;ethane?
The IUPAC name of 6-tert-butyl-1,2-dimethyl-4-propan-2-yl-2H-pyrimidine;ethane (CID 153395926) is 6-tert-butyl-1,2-dimethyl-4-propan-2-yl-2H-pyrimidine;ethane.
What is the SMILES notation for 6-tert-butyl-1,2-dimethyl-4-propan-2-yl-2H-pyrimidine;ethane?
The canonical SMILES for 6-tert-butyl-1,2-dimethyl-4-propan-2-yl-2H-pyrimidine;ethane is CC.CC(C)C1=NC(C)N(C)C(C(C)(C)C)=C1.
What is the InChIKey of 6-tert-butyl-1,2-dimethyl-4-propan-2-yl-2H-pyrimidine;ethane?
The InChIKey is VVWMMSXPWGPCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2.C2H6/c1-9(2)11-8-12(13(4,5)6)15(7)10(3)14-11;1-2/h8-10H,1-7H3;1-2H3.
What are the key properties of 6-tert-butyl-1,2-dimethyl-4-propan-2-yl-2H-pyrimidine;ethane?
6-tert-butyl-1,2-dimethyl-4-propan-2-yl-2H-pyrimidine;ethane has a molecular weight of 238.42 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1,2-dimethyl-4-propan-2-yl-2H-pyrimidine;ethane is sourced from PubChem (CID 153395926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).