2-cyclopropyl-4-ethyl-5-methylpyrimidine

C10H14N2 — CID 123992925

IUPAC2-cyclopropyl-4-ethyl-5-methylpyrimidine
SMILESCCc1nc(C2CC2)ncc1C
InChIInChI=1S/C10H14N2/c1-3-9-7(2)6-11-10(12-9)8-4-5-8/h6,8H,3-5H2,1-2H3
InChIKeyXKLBXLLRZNZCQB-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.22
Rot. Bonds2

About 2-cyclopropyl-4-ethyl-5-methylpyrimidine

2-cyclopropyl-4-ethyl-5-methylpyrimidine (PubChem CID 123992925) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-cyclopropyl-4-ethyl-5-methylpyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-ethyl-5-methylpyrimidine
PubChem CID123992925
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-cyclopropyl-4-ethyl-5-methylpyrimidine
SMILESCCc1nc(C2CC2)ncc1C
InChIInChI=1S/C10H14N2/c1-3-9-7(2)6-11-10(12-9)8-4-5-8/h6,8H,3-5H2,1-2H3
InChIKeyXKLBXLLRZNZCQB-UHFFFAOYSA-N
XLogP2.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-ethyl-5-methylpyrimidine?
The IUPAC name of 2-cyclopropyl-4-ethyl-5-methylpyrimidine (CID 123992925) is 2-cyclopropyl-4-ethyl-5-methylpyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-ethyl-5-methylpyrimidine?
The canonical SMILES for 2-cyclopropyl-4-ethyl-5-methylpyrimidine is CCc1nc(C2CC2)ncc1C.
What is the InChIKey of 2-cyclopropyl-4-ethyl-5-methylpyrimidine?
The InChIKey is XKLBXLLRZNZCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-3-9-7(2)6-11-10(12-9)8-4-5-8/h6,8H,3-5H2,1-2H3.
What are the key properties of 2-cyclopropyl-4-ethyl-5-methylpyrimidine?
2-cyclopropyl-4-ethyl-5-methylpyrimidine has a molecular weight of 162.24 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-ethyl-5-methylpyrimidine is sourced from PubChem (CID 123992925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).