ethane;1-ethyl-4,4-dimethylpyrimidine

C10H20N2 — CID 145022653

IUPACethane;1-ethyl-4,4-dimethylpyrimidine
SMILESCC.CCN1C=CC(C)(C)N=C1
InChIInChI=1S/C8H14N2.C2H6/c1-4-10-6-5-8(2,3)9-7-10;1-2/h5-7H,4H2,1-3H3;1-2H3
InChIKeyCUWRIYYMYZJQHL-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.67
Rot. Bonds1

About ethane;1-ethyl-4,4-dimethylpyrimidine

ethane;1-ethyl-4,4-dimethylpyrimidine (PubChem CID 145022653) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is ethane;1-ethyl-4,4-dimethylpyrimidine.

Molecular Properties

Compound Nameethane;1-ethyl-4,4-dimethylpyrimidine
PubChem CID145022653
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Nameethane;1-ethyl-4,4-dimethylpyrimidine
SMILESCC.CCN1C=CC(C)(C)N=C1
InChIInChI=1S/C8H14N2.C2H6/c1-4-10-6-5-8(2,3)9-7-10;1-2/h5-7H,4H2,1-3H3;1-2H3
InChIKeyCUWRIYYMYZJQHL-UHFFFAOYSA-N
XLogP2.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4,4-dimethylpyrimidine?
The IUPAC name of ethane;1-ethyl-4,4-dimethylpyrimidine (CID 145022653) is ethane;1-ethyl-4,4-dimethylpyrimidine.
What is the SMILES notation for ethane;1-ethyl-4,4-dimethylpyrimidine?
The canonical SMILES for ethane;1-ethyl-4,4-dimethylpyrimidine is CC.CCN1C=CC(C)(C)N=C1.
What is the InChIKey of ethane;1-ethyl-4,4-dimethylpyrimidine?
The InChIKey is CUWRIYYMYZJQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C2H6/c1-4-10-6-5-8(2,3)9-7-10;1-2/h5-7H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;1-ethyl-4,4-dimethylpyrimidine?
ethane;1-ethyl-4,4-dimethylpyrimidine has a molecular weight of 168.28 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4,4-dimethylpyrimidine is sourced from PubChem (CID 145022653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).