(2R,3R,4R,5R)-2-(4-amino-2-phenyliminoquinazolin-1-yl)oxane-3,4,5-triol

C19H20N4O4 — CID 131857520

IUPAC(2R,3R,4R,5R)-2-(4-amino-2-phenyliminoquinazolin-1-yl)oxane-3,4,5-triol
SMILESNc1n/c(=N\c2ccccc2)n([C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c2ccccc12
InChIInChI=1S/C19H20N4O4/c20-17-12-8-4-5-9-13(12)23(18-16(26)15(25)14(24)10-27-18)19(22-17)21-11-6-2-1-3-7-11/h1-9,14-16,18,24-26H,10H2,(H2,20,21,22)/t14-,15-,16-,18-/m1/s1
InChIKeyZFZXSZDXZRUBRT-YFHUEUNASA-N
MW368.39 g/mol
LogP0.46
Rot. Bonds2

About (2R,3R,4R,5R)-2-(4-amino-2-phenyliminoquinazolin-1-yl)oxane-3,4,5-triol

(2R,3R,4R,5R)-2-(4-amino-2-phenyliminoquinazolin-1-yl)oxane-3,4,5-triol (PubChem CID 131857520) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-(4-amino-2-phenyliminoquinazolin-1-yl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-(4-amino-2-phenyliminoquinazolin-1-yl)oxane-3,4,5-triol
PubChem CID131857520
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name(2R,3R,4R,5R)-2-(4-amino-2-phenyliminoquinazolin-1-yl)oxane-3,4,5-triol
SMILESNc1n/c(=N\c2ccccc2)n([C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c2ccccc12
InChIInChI=1S/C19H20N4O4/c20-17-12-8-4-5-9-13(12)23(18-16(26)15(25)14(24)10-27-18)19(22-17)21-11-6-2-1-3-7-11/h1-9,14-16,18,24-26H,10H2,(H2,20,21,22)/t14-,15-,16-,18-/m1/s1
InChIKeyZFZXSZDXZRUBRT-YFHUEUNASA-N
XLogP0.46
TPSA126.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-(4-amino-2-phenyliminoquinazolin-1-yl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5R)-2-(4-amino-2-phenyliminoquinazolin-1-yl)oxane-3,4,5-triol (CID 131857520) is (2R,3R,4R,5R)-2-(4-amino-2-phenyliminoquinazolin-1-yl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5R)-2-(4-amino-2-phenyliminoquinazolin-1-yl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5R)-2-(4-amino-2-phenyliminoquinazolin-1-yl)oxane-3,4,5-triol is Nc1n/c(=N\c2ccccc2)n([C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c2ccccc12.
What is the InChIKey of (2R,3R,4R,5R)-2-(4-amino-2-phenyliminoquinazolin-1-yl)oxane-3,4,5-triol?
The InChIKey is ZFZXSZDXZRUBRT-YFHUEUNASA-N. The full InChI is InChI=1S/C19H20N4O4/c20-17-12-8-4-5-9-13(12)23(18-16(26)15(25)14(24)10-27-18)19(22-17)21-11-6-2-1-3-7-11/h1-9,14-16,18,24-26H,10H2,(H2,20,21,22)/t14-,15-,16-,18-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-(4-amino-2-phenyliminoquinazolin-1-yl)oxane-3,4,5-triol?
(2R,3R,4R,5R)-2-(4-amino-2-phenyliminoquinazolin-1-yl)oxane-3,4,5-triol has a molecular weight of 368.39 g/mol, XLogP of 0.46, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-(4-amino-2-phenyliminoquinazolin-1-yl)oxane-3,4,5-triol is sourced from PubChem (CID 131857520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).