2-[phenyl-[phenyl(pyrimidin-2-yl)methoxy]methyl]pyrimidine

C22H18N4O — CID 139831389

IUPAC2-[phenyl-[phenyl(pyrimidin-2-yl)methoxy]methyl]pyrimidine
SMILESc1ccc(C(OC(c2ccccc2)c2ncccn2)c2ncccn2)cc1
InChIInChI=1S/C22H18N4O/c1-3-9-17(10-4-1)19(21-23-13-7-14-24-21)27-20(18-11-5-2-6-12-18)22-25-15-8-16-26-22/h1-16,19-20H
InChIKeySLJUUMHBGUIDJY-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.16
Rot. Bonds6

About 2-[phenyl-[phenyl(pyrimidin-2-yl)methoxy]methyl]pyrimidine

2-[phenyl-[phenyl(pyrimidin-2-yl)methoxy]methyl]pyrimidine (PubChem CID 139831389) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[phenyl-[phenyl(pyrimidin-2-yl)methoxy]methyl]pyrimidine.

Molecular Properties

Compound Name2-[phenyl-[phenyl(pyrimidin-2-yl)methoxy]methyl]pyrimidine
PubChem CID139831389
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name2-[phenyl-[phenyl(pyrimidin-2-yl)methoxy]methyl]pyrimidine
SMILESc1ccc(C(OC(c2ccccc2)c2ncccn2)c2ncccn2)cc1
InChIInChI=1S/C22H18N4O/c1-3-9-17(10-4-1)19(21-23-13-7-14-24-21)27-20(18-11-5-2-6-12-18)22-25-15-8-16-26-22/h1-16,19-20H
InChIKeySLJUUMHBGUIDJY-UHFFFAOYSA-N
XLogP4.16
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[phenyl-[phenyl(pyrimidin-2-yl)methoxy]methyl]pyrimidine?
The IUPAC name of 2-[phenyl-[phenyl(pyrimidin-2-yl)methoxy]methyl]pyrimidine (CID 139831389) is 2-[phenyl-[phenyl(pyrimidin-2-yl)methoxy]methyl]pyrimidine.
What is the SMILES notation for 2-[phenyl-[phenyl(pyrimidin-2-yl)methoxy]methyl]pyrimidine?
The canonical SMILES for 2-[phenyl-[phenyl(pyrimidin-2-yl)methoxy]methyl]pyrimidine is c1ccc(C(OC(c2ccccc2)c2ncccn2)c2ncccn2)cc1.
What is the InChIKey of 2-[phenyl-[phenyl(pyrimidin-2-yl)methoxy]methyl]pyrimidine?
The InChIKey is SLJUUMHBGUIDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-3-9-17(10-4-1)19(21-23-13-7-14-24-21)27-20(18-11-5-2-6-12-18)22-25-15-8-16-26-22/h1-16,19-20H.
What are the key properties of 2-[phenyl-[phenyl(pyrimidin-2-yl)methoxy]methyl]pyrimidine?
2-[phenyl-[phenyl(pyrimidin-2-yl)methoxy]methyl]pyrimidine has a molecular weight of 354.41 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[phenyl-[phenyl(pyrimidin-2-yl)methoxy]methyl]pyrimidine is sourced from PubChem (CID 139831389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).