4,5,6-trimethyl-2-propylpyrimidine

C10H16N2 — CID 20792597

IUPAC4,5,6-trimethyl-2-propylpyrimidine
SMILESCCCc1nc(C)c(C)c(C)n1
InChIInChI=1S/C10H16N2/c1-5-6-10-11-8(3)7(2)9(4)12-10/h5-6H2,1-4H3
InChIKeyHEFBYSIDMXIOQX-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.35
Rot. Bonds2

About 4,5,6-trimethyl-2-propylpyrimidine

4,5,6-trimethyl-2-propylpyrimidine (PubChem CID 20792597) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4,5,6-trimethyl-2-propylpyrimidine.

Molecular Properties

Compound Name4,5,6-trimethyl-2-propylpyrimidine
PubChem CID20792597
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4,5,6-trimethyl-2-propylpyrimidine
SMILESCCCc1nc(C)c(C)c(C)n1
InChIInChI=1S/C10H16N2/c1-5-6-10-11-8(3)7(2)9(4)12-10/h5-6H2,1-4H3
InChIKeyHEFBYSIDMXIOQX-UHFFFAOYSA-N
XLogP2.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethyl-2-propylpyrimidine?
The IUPAC name of 4,5,6-trimethyl-2-propylpyrimidine (CID 20792597) is 4,5,6-trimethyl-2-propylpyrimidine.
What is the SMILES notation for 4,5,6-trimethyl-2-propylpyrimidine?
The canonical SMILES for 4,5,6-trimethyl-2-propylpyrimidine is CCCc1nc(C)c(C)c(C)n1.
What is the InChIKey of 4,5,6-trimethyl-2-propylpyrimidine?
The InChIKey is HEFBYSIDMXIOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-6-10-11-8(3)7(2)9(4)12-10/h5-6H2,1-4H3.
What are the key properties of 4,5,6-trimethyl-2-propylpyrimidine?
4,5,6-trimethyl-2-propylpyrimidine has a molecular weight of 164.25 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethyl-2-propylpyrimidine is sourced from PubChem (CID 20792597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).