4-ethyl-6-propan-2-ylpyrimidine

C9H14N2 — CID 88990217

IUPAC4-ethyl-6-propan-2-ylpyrimidine
SMILESCCc1cc(C(C)C)ncn1
InChIInChI=1S/C9H14N2/c1-4-8-5-9(7(2)3)11-6-10-8/h5-7H,4H2,1-3H3
InChIKeyVXOSSIZWKZKJRH-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.16
Rot. Bonds2

About 4-ethyl-6-propan-2-ylpyrimidine

4-ethyl-6-propan-2-ylpyrimidine (PubChem CID 88990217) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 4-ethyl-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-ethyl-6-propan-2-ylpyrimidine
PubChem CID88990217
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name4-ethyl-6-propan-2-ylpyrimidine
SMILESCCc1cc(C(C)C)ncn1
InChIInChI=1S/C9H14N2/c1-4-8-5-9(7(2)3)11-6-10-8/h5-7H,4H2,1-3H3
InChIKeyVXOSSIZWKZKJRH-UHFFFAOYSA-N
XLogP2.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-propan-2-ylpyrimidine?
The IUPAC name of 4-ethyl-6-propan-2-ylpyrimidine (CID 88990217) is 4-ethyl-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-ethyl-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-ethyl-6-propan-2-ylpyrimidine is CCc1cc(C(C)C)ncn1.
What is the InChIKey of 4-ethyl-6-propan-2-ylpyrimidine?
The InChIKey is VXOSSIZWKZKJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-8-5-9(7(2)3)11-6-10-8/h5-7H,4H2,1-3H3.
What are the key properties of 4-ethyl-6-propan-2-ylpyrimidine?
4-ethyl-6-propan-2-ylpyrimidine has a molecular weight of 150.22 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-propan-2-ylpyrimidine is sourced from PubChem (CID 88990217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).