4-phenyl-6-propylpyrimidine

C13H14N2 — CID 13153439

IUPAC4-phenyl-6-propylpyrimidine
SMILESCCCc1cc(-c2ccccc2)ncn1
InChIInChI=1S/C13H14N2/c1-2-6-12-9-13(15-10-14-12)11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3
InChIKeyQOJWNNQWVMKEPQ-UHFFFAOYSA-N
MW198.27 g/mol
LogP3.10
Rot. Bonds3

About 4-phenyl-6-propylpyrimidine

4-phenyl-6-propylpyrimidine (PubChem CID 13153439) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-phenyl-6-propylpyrimidine.

Molecular Properties

Compound Name4-phenyl-6-propylpyrimidine
PubChem CID13153439
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name4-phenyl-6-propylpyrimidine
SMILESCCCc1cc(-c2ccccc2)ncn1
InChIInChI=1S/C13H14N2/c1-2-6-12-9-13(15-10-14-12)11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3
InChIKeyQOJWNNQWVMKEPQ-UHFFFAOYSA-N
XLogP3.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-propylpyrimidine?
The IUPAC name of 4-phenyl-6-propylpyrimidine (CID 13153439) is 4-phenyl-6-propylpyrimidine.
What is the SMILES notation for 4-phenyl-6-propylpyrimidine?
The canonical SMILES for 4-phenyl-6-propylpyrimidine is CCCc1cc(-c2ccccc2)ncn1.
What is the InChIKey of 4-phenyl-6-propylpyrimidine?
The InChIKey is QOJWNNQWVMKEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-2-6-12-9-13(15-10-14-12)11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3.
What are the key properties of 4-phenyl-6-propylpyrimidine?
4-phenyl-6-propylpyrimidine has a molecular weight of 198.27 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-propylpyrimidine is sourced from PubChem (CID 13153439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).