4-(dimethoxymethyl)-2-phenylpyrimidine

C13H14N2O2 — CID 79020331

IUPAC4-(dimethoxymethyl)-2-phenylpyrimidine
SMILESCOC(OC)c1ccnc(-c2ccccc2)n1
InChIInChI=1S/C13H14N2O2/c1-16-13(17-2)11-8-9-14-12(15-11)10-6-4-3-5-7-10/h3-9,13H,1-2H3
InChIKeyNBJKIKKYZHWMFK-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.43
Rot. Bonds4

About 4-(dimethoxymethyl)-2-phenylpyrimidine

4-(dimethoxymethyl)-2-phenylpyrimidine (PubChem CID 79020331) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-phenylpyrimidine
PubChem CID79020331
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-(dimethoxymethyl)-2-phenylpyrimidine
SMILESCOC(OC)c1ccnc(-c2ccccc2)n1
InChIInChI=1S/C13H14N2O2/c1-16-13(17-2)11-8-9-14-12(15-11)10-6-4-3-5-7-10/h3-9,13H,1-2H3
InChIKeyNBJKIKKYZHWMFK-UHFFFAOYSA-N
XLogP2.43
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-2-phenylpyrimidine?
The IUPAC name of 4-(dimethoxymethyl)-2-phenylpyrimidine (CID 79020331) is 4-(dimethoxymethyl)-2-phenylpyrimidine.
What is the SMILES notation for 4-(dimethoxymethyl)-2-phenylpyrimidine?
The canonical SMILES for 4-(dimethoxymethyl)-2-phenylpyrimidine is COC(OC)c1ccnc(-c2ccccc2)n1.
What is the InChIKey of 4-(dimethoxymethyl)-2-phenylpyrimidine?
The InChIKey is NBJKIKKYZHWMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-16-13(17-2)11-8-9-14-12(15-11)10-6-4-3-5-7-10/h3-9,13H,1-2H3.
What are the key properties of 4-(dimethoxymethyl)-2-phenylpyrimidine?
4-(dimethoxymethyl)-2-phenylpyrimidine has a molecular weight of 230.27 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-phenylpyrimidine is sourced from PubChem (CID 79020331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).