5-(4-chlorophenyl)-8-methoxy-3-methyl-5H-chromeno[2,3-d]pyrimidin-4-imine

C19H16ClN3O2 — CID 71569899

IUPAC5-(4-chlorophenyl)-8-methoxy-3-methyl-5H-chromeno[2,3-d]pyrimidin-4-imine
SMILES[H]/N=c1/c2c(ncn1C)Oc1cc(OC)ccc1C2c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O2/c1-23-10-22-19-17(18(23)21)16(11-3-5-12(20)6-4-11)14-8-7-13(24-2)9-15(14)25-19/h3-10,16,21H,1-2H3/b21-18-
InChIKeyWTTMQHAWCYAMRS-UZYVYHOESA-N
MW353.81 g/mol
LogP3.85
Rot. Bonds2

About 5-(4-chlorophenyl)-8-methoxy-3-methyl-5H-chromeno[2,3-d]pyrimidin-4-imine

5-(4-chlorophenyl)-8-methoxy-3-methyl-5H-chromeno[2,3-d]pyrimidin-4-imine (PubChem CID 71569899) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-8-methoxy-3-methyl-5H-chromeno[2,3-d]pyrimidin-4-imine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-8-methoxy-3-methyl-5H-chromeno[2,3-d]pyrimidin-4-imine
PubChem CID71569899
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name5-(4-chlorophenyl)-8-methoxy-3-methyl-5H-chromeno[2,3-d]pyrimidin-4-imine
SMILES[H]/N=c1/c2c(ncn1C)Oc1cc(OC)ccc1C2c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O2/c1-23-10-22-19-17(18(23)21)16(11-3-5-12(20)6-4-11)14-8-7-13(24-2)9-15(14)25-19/h3-10,16,21H,1-2H3/b21-18-
InChIKeyWTTMQHAWCYAMRS-UZYVYHOESA-N
XLogP3.85
TPSA60.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-8-methoxy-3-methyl-5H-chromeno[2,3-d]pyrimidin-4-imine?
The IUPAC name of 5-(4-chlorophenyl)-8-methoxy-3-methyl-5H-chromeno[2,3-d]pyrimidin-4-imine (CID 71569899) is 5-(4-chlorophenyl)-8-methoxy-3-methyl-5H-chromeno[2,3-d]pyrimidin-4-imine.
What is the SMILES notation for 5-(4-chlorophenyl)-8-methoxy-3-methyl-5H-chromeno[2,3-d]pyrimidin-4-imine?
The canonical SMILES for 5-(4-chlorophenyl)-8-methoxy-3-methyl-5H-chromeno[2,3-d]pyrimidin-4-imine is [H]/N=c1/c2c(ncn1C)Oc1cc(OC)ccc1C2c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-8-methoxy-3-methyl-5H-chromeno[2,3-d]pyrimidin-4-imine?
The InChIKey is WTTMQHAWCYAMRS-UZYVYHOESA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-23-10-22-19-17(18(23)21)16(11-3-5-12(20)6-4-11)14-8-7-13(24-2)9-15(14)25-19/h3-10,16,21H,1-2H3/b21-18-.
What are the key properties of 5-(4-chlorophenyl)-8-methoxy-3-methyl-5H-chromeno[2,3-d]pyrimidin-4-imine?
5-(4-chlorophenyl)-8-methoxy-3-methyl-5H-chromeno[2,3-d]pyrimidin-4-imine has a molecular weight of 353.81 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-8-methoxy-3-methyl-5H-chromeno[2,3-d]pyrimidin-4-imine is sourced from PubChem (CID 71569899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).