(2R)-1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propan-2-ol

C21H19N3O2 — CID 46855198

IUPAC(2R)-1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
SMILESC[C@@H](O)CNc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C21H19N3O2/c1-14(25)12-22-20-18-17(15-8-4-2-5-9-15)19(16-10-6-3-7-11-16)26-21(18)24-13-23-20/h2-11,13-14,25H,12H2,1H3,(H,22,23,24)/t14-/m1/s1
InChIKeyVAWSGMBDACIOIP-CQSZACIVSA-N
MW345.40 g/mol
LogP4.35
Rot. Bonds5

About (2R)-1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propan-2-ol

(2R)-1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propan-2-ol (PubChem CID 46855198) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is (2R)-1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
PubChem CID46855198
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name(2R)-1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
SMILESC[C@@H](O)CNc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C21H19N3O2/c1-14(25)12-22-20-18-17(15-8-4-2-5-9-15)19(16-10-6-3-7-11-16)26-21(18)24-13-23-20/h2-11,13-14,25H,12H2,1H3,(H,22,23,24)/t14-/m1/s1
InChIKeyVAWSGMBDACIOIP-CQSZACIVSA-N
XLogP4.35
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propan-2-ol?
The IUPAC name of (2R)-1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propan-2-ol (CID 46855198) is (2R)-1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propan-2-ol is C[C@@H](O)CNc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12.
What is the InChIKey of (2R)-1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propan-2-ol?
The InChIKey is VAWSGMBDACIOIP-CQSZACIVSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-14(25)12-22-20-18-17(15-8-4-2-5-9-15)19(16-10-6-3-7-11-16)26-21(18)24-13-23-20/h2-11,13-14,25H,12H2,1H3,(H,22,23,24)/t14-/m1/s1.
What are the key properties of (2R)-1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propan-2-ol?
(2R)-1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propan-2-ol has a molecular weight of 345.40 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 46855198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).