4-phenylmethoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine

C22H23N3O2 — CID 133474099

IUPAC4-phenylmethoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine
SMILESc1ccc(COc2ccnc(NC3CCOC(c4ccccc4)C3)n2)cc1
InChIInChI=1S/C22H23N3O2/c1-3-7-17(8-4-1)16-27-21-11-13-23-22(25-21)24-19-12-14-26-20(15-19)18-9-5-2-6-10-18/h1-11,13,19-20H,12,14-16H2,(H,23,24,25)
InChIKeyBIOWGOCRYMPJGU-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.39
Rot. Bonds6

About 4-phenylmethoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine

4-phenylmethoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine (PubChem CID 133474099) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-phenylmethoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-phenylmethoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine
PubChem CID133474099
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name4-phenylmethoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine
SMILESc1ccc(COc2ccnc(NC3CCOC(c4ccccc4)C3)n2)cc1
InChIInChI=1S/C22H23N3O2/c1-3-7-17(8-4-1)16-27-21-11-13-23-22(25-21)24-19-12-14-26-20(15-19)18-9-5-2-6-10-18/h1-11,13,19-20H,12,14-16H2,(H,23,24,25)
InChIKeyBIOWGOCRYMPJGU-UHFFFAOYSA-N
XLogP4.39
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-phenylmethoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine (CID 133474099) is 4-phenylmethoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-phenylmethoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-phenylmethoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine is c1ccc(COc2ccnc(NC3CCOC(c4ccccc4)C3)n2)cc1.
What is the InChIKey of 4-phenylmethoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine?
The InChIKey is BIOWGOCRYMPJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-3-7-17(8-4-1)16-27-21-11-13-23-22(25-21)24-19-12-14-26-20(15-19)18-9-5-2-6-10-18/h1-11,13,19-20H,12,14-16H2,(H,23,24,25).
What are the key properties of 4-phenylmethoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine?
4-phenylmethoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine has a molecular weight of 361.45 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 133474099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).