5-[(6-methyl-3-pyridinyl)methyl]-2-phenylmethoxypyrimidine

C18H17N3O — CID 20523390

IUPAC5-[(6-methyl-3-pyridinyl)methyl]-2-phenylmethoxypyrimidine
SMILESCc1ccc(Cc2cnc(OCc3ccccc3)nc2)cn1
InChIInChI=1S/C18H17N3O/c1-14-7-8-16(10-19-14)9-17-11-20-18(21-12-17)22-13-15-5-3-2-4-6-15/h2-8,10-12H,9,13H2,1H3
InChIKeyRDBSFUSPGVKCFG-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.35
Rot. Bonds5

About 5-[(6-methyl-3-pyridinyl)methyl]-2-phenylmethoxypyrimidine

5-[(6-methyl-3-pyridinyl)methyl]-2-phenylmethoxypyrimidine (PubChem CID 20523390) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-[(6-methyl-3-pyridinyl)methyl]-2-phenylmethoxypyrimidine.

Molecular Properties

Compound Name5-[(6-methyl-3-pyridinyl)methyl]-2-phenylmethoxypyrimidine
PubChem CID20523390
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name5-[(6-methyl-3-pyridinyl)methyl]-2-phenylmethoxypyrimidine
SMILESCc1ccc(Cc2cnc(OCc3ccccc3)nc2)cn1
InChIInChI=1S/C18H17N3O/c1-14-7-8-16(10-19-14)9-17-11-20-18(21-12-17)22-13-15-5-3-2-4-6-15/h2-8,10-12H,9,13H2,1H3
InChIKeyRDBSFUSPGVKCFG-UHFFFAOYSA-N
XLogP3.35
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-methyl-3-pyridinyl)methyl]-2-phenylmethoxypyrimidine?
The IUPAC name of 5-[(6-methyl-3-pyridinyl)methyl]-2-phenylmethoxypyrimidine (CID 20523390) is 5-[(6-methyl-3-pyridinyl)methyl]-2-phenylmethoxypyrimidine.
What is the SMILES notation for 5-[(6-methyl-3-pyridinyl)methyl]-2-phenylmethoxypyrimidine?
The canonical SMILES for 5-[(6-methyl-3-pyridinyl)methyl]-2-phenylmethoxypyrimidine is Cc1ccc(Cc2cnc(OCc3ccccc3)nc2)cn1.
What is the InChIKey of 5-[(6-methyl-3-pyridinyl)methyl]-2-phenylmethoxypyrimidine?
The InChIKey is RDBSFUSPGVKCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-14-7-8-16(10-19-14)9-17-11-20-18(21-12-17)22-13-15-5-3-2-4-6-15/h2-8,10-12H,9,13H2,1H3.
What are the key properties of 5-[(6-methyl-3-pyridinyl)methyl]-2-phenylmethoxypyrimidine?
5-[(6-methyl-3-pyridinyl)methyl]-2-phenylmethoxypyrimidine has a molecular weight of 291.35 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methyl-3-pyridinyl)methyl]-2-phenylmethoxypyrimidine is sourced from PubChem (CID 20523390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).