6-(4-chlorophenyl)-2-(ethylamino)-8-(4-methoxyphenyl)pteridin-7-one

C21H18ClN5O2 — CID 3234862

IUPAC6-(4-chlorophenyl)-2-(ethylamino)-8-(4-methoxyphenyl)pteridin-7-one
SMILESCCNc1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(-c3ccc(OC)cc3)c2n1
InChIInChI=1S/C21H18ClN5O2/c1-3-23-21-24-12-17-19(26-21)27(15-8-10-16(29-2)11-9-15)20(28)18(25-17)13-4-6-14(22)7-5-13/h4-12H,3H2,1-2H3,(H,23,24,26)
InChIKeyDCPUJHKZZWNNNR-UHFFFAOYSA-N
MW407.86 g/mol
LogP3.94
Rot. Bonds5

About 6-(4-chlorophenyl)-2-(ethylamino)-8-(4-methoxyphenyl)pteridin-7-one

6-(4-chlorophenyl)-2-(ethylamino)-8-(4-methoxyphenyl)pteridin-7-one (PubChem CID 3234862) has the molecular formula C21H18ClN5O2 and a molecular weight of 407.86 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-(ethylamino)-8-(4-methoxyphenyl)pteridin-7-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-(ethylamino)-8-(4-methoxyphenyl)pteridin-7-one
PubChem CID3234862
Molecular FormulaC21H18ClN5O2
Molecular Weight407.86 g/mol
Exact Mass407.11
IUPAC Name6-(4-chlorophenyl)-2-(ethylamino)-8-(4-methoxyphenyl)pteridin-7-one
SMILESCCNc1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(-c3ccc(OC)cc3)c2n1
InChIInChI=1S/C21H18ClN5O2/c1-3-23-21-24-12-17-19(26-21)27(15-8-10-16(29-2)11-9-15)20(28)18(25-17)13-4-6-14(22)7-5-13/h4-12H,3H2,1-2H3,(H,23,24,26)
InChIKeyDCPUJHKZZWNNNR-UHFFFAOYSA-N
XLogP3.94
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-(ethylamino)-8-(4-methoxyphenyl)pteridin-7-one?
The IUPAC name of 6-(4-chlorophenyl)-2-(ethylamino)-8-(4-methoxyphenyl)pteridin-7-one (CID 3234862) is 6-(4-chlorophenyl)-2-(ethylamino)-8-(4-methoxyphenyl)pteridin-7-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-(ethylamino)-8-(4-methoxyphenyl)pteridin-7-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-(ethylamino)-8-(4-methoxyphenyl)pteridin-7-one is CCNc1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(-c3ccc(OC)cc3)c2n1.
What is the InChIKey of 6-(4-chlorophenyl)-2-(ethylamino)-8-(4-methoxyphenyl)pteridin-7-one?
The InChIKey is DCPUJHKZZWNNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O2/c1-3-23-21-24-12-17-19(26-21)27(15-8-10-16(29-2)11-9-15)20(28)18(25-17)13-4-6-14(22)7-5-13/h4-12H,3H2,1-2H3,(H,23,24,26).
What are the key properties of 6-(4-chlorophenyl)-2-(ethylamino)-8-(4-methoxyphenyl)pteridin-7-one?
6-(4-chlorophenyl)-2-(ethylamino)-8-(4-methoxyphenyl)pteridin-7-one has a molecular weight of 407.86 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-(ethylamino)-8-(4-methoxyphenyl)pteridin-7-one is sourced from PubChem (CID 3234862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).