6-(3,4-dichlorophenyl)-4-ethoxypteridin-2-amine

C14H11Cl2N5O — CID 11290621

IUPAC6-(3,4-dichlorophenyl)-4-ethoxypteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(-c3ccc(Cl)c(Cl)c3)nc12
InChIInChI=1S/C14H11Cl2N5O/c1-2-22-13-11-12(20-14(17)21-13)18-6-10(19-11)7-3-4-8(15)9(16)5-7/h3-6H,2H2,1H3,(H2,17,18,20,21)
InChIKeyCHJDXKMMSMBDBU-UHFFFAOYSA-N
MW336.18 g/mol
LogP3.37
Rot. Bonds3

About 6-(3,4-dichlorophenyl)-4-ethoxypteridin-2-amine

6-(3,4-dichlorophenyl)-4-ethoxypteridin-2-amine (PubChem CID 11290621) has the molecular formula C14H11Cl2N5O and a molecular weight of 336.18 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-4-ethoxypteridin-2-amine.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-4-ethoxypteridin-2-amine
PubChem CID11290621
Molecular FormulaC14H11Cl2N5O
Molecular Weight336.18 g/mol
Exact Mass335.03
IUPAC Name6-(3,4-dichlorophenyl)-4-ethoxypteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(-c3ccc(Cl)c(Cl)c3)nc12
InChIInChI=1S/C14H11Cl2N5O/c1-2-22-13-11-12(20-14(17)21-13)18-6-10(19-11)7-3-4-8(15)9(16)5-7/h3-6H,2H2,1H3,(H2,17,18,20,21)
InChIKeyCHJDXKMMSMBDBU-UHFFFAOYSA-N
XLogP3.37
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-4-ethoxypteridin-2-amine?
The IUPAC name of 6-(3,4-dichlorophenyl)-4-ethoxypteridin-2-amine (CID 11290621) is 6-(3,4-dichlorophenyl)-4-ethoxypteridin-2-amine.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-4-ethoxypteridin-2-amine?
The canonical SMILES for 6-(3,4-dichlorophenyl)-4-ethoxypteridin-2-amine is CCOc1nc(N)nc2ncc(-c3ccc(Cl)c(Cl)c3)nc12.
What is the InChIKey of 6-(3,4-dichlorophenyl)-4-ethoxypteridin-2-amine?
The InChIKey is CHJDXKMMSMBDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5O/c1-2-22-13-11-12(20-14(17)21-13)18-6-10(19-11)7-3-4-8(15)9(16)5-7/h3-6H,2H2,1H3,(H2,17,18,20,21).
What are the key properties of 6-(3,4-dichlorophenyl)-4-ethoxypteridin-2-amine?
6-(3,4-dichlorophenyl)-4-ethoxypteridin-2-amine has a molecular weight of 336.18 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)-4-ethoxypteridin-2-amine is sourced from PubChem (CID 11290621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).