2-phenylmethoxy-5-[(2R,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine

C30H30N2O4 — CID 163410965

IUPAC2-phenylmethoxy-5-[(2R,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine
SMILESc1ccc(COC[C@H]2O[C@@H](c3cnc(OCc4ccccc4)nc3)C[C@H]2OCc2ccccc2)cc1
InChIInChI=1S/C30H30N2O4/c1-4-10-23(11-5-1)19-33-22-29-28(34-20-24-12-6-2-7-13-24)16-27(36-29)26-17-31-30(32-18-26)35-21-25-14-8-3-9-15-25/h1-15,17-18,27-29H,16,19-22H2/t27-,28-,29-/m1/s1
InChIKeyAALMNHQOMFKSFM-MPFGFTFXSA-N
MW482.58 g/mol
LogP5.69
Rot. Bonds11

About 2-phenylmethoxy-5-[(2R,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine

2-phenylmethoxy-5-[(2R,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine (PubChem CID 163410965) has the molecular formula C30H30N2O4 and a molecular weight of 482.58 g/mol. Its IUPAC name is 2-phenylmethoxy-5-[(2R,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine.

Molecular Properties

Compound Name2-phenylmethoxy-5-[(2R,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine
PubChem CID163410965
Molecular FormulaC30H30N2O4
Molecular Weight482.58 g/mol
Exact Mass482.22
IUPAC Name2-phenylmethoxy-5-[(2R,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine
SMILESc1ccc(COC[C@H]2O[C@@H](c3cnc(OCc4ccccc4)nc3)C[C@H]2OCc2ccccc2)cc1
InChIInChI=1S/C30H30N2O4/c1-4-10-23(11-5-1)19-33-22-29-28(34-20-24-12-6-2-7-13-24)16-27(36-29)26-17-31-30(32-18-26)35-21-25-14-8-3-9-15-25/h1-15,17-18,27-29H,16,19-22H2/t27-,28-,29-/m1/s1
InChIKeyAALMNHQOMFKSFM-MPFGFTFXSA-N
XLogP5.69
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-5-[(2R,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine?
The IUPAC name of 2-phenylmethoxy-5-[(2R,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine (CID 163410965) is 2-phenylmethoxy-5-[(2R,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine.
What is the SMILES notation for 2-phenylmethoxy-5-[(2R,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine?
The canonical SMILES for 2-phenylmethoxy-5-[(2R,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine is c1ccc(COC[C@H]2O[C@@H](c3cnc(OCc4ccccc4)nc3)C[C@H]2OCc2ccccc2)cc1.
What is the InChIKey of 2-phenylmethoxy-5-[(2R,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine?
The InChIKey is AALMNHQOMFKSFM-MPFGFTFXSA-N. The full InChI is InChI=1S/C30H30N2O4/c1-4-10-23(11-5-1)19-33-22-29-28(34-20-24-12-6-2-7-13-24)16-27(36-29)26-17-31-30(32-18-26)35-21-25-14-8-3-9-15-25/h1-15,17-18,27-29H,16,19-22H2/t27-,28-,29-/m1/s1.
What are the key properties of 2-phenylmethoxy-5-[(2R,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine?
2-phenylmethoxy-5-[(2R,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine has a molecular weight of 482.58 g/mol, XLogP of 5.69, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-5-[(2R,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine is sourced from PubChem (CID 163410965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).