N-(4-chlorophenyl)-6-ethoxypteridin-4-amine

C14H12ClN5O — CID 70678186

IUPACN-(4-chlorophenyl)-6-ethoxypteridin-4-amine
SMILESCCOc1cnc2ncnc(Nc3ccc(Cl)cc3)c2n1
InChIInChI=1S/C14H12ClN5O/c1-2-21-11-7-16-13-12(20-11)14(18-8-17-13)19-10-5-3-9(15)4-6-10/h3-8H,2H2,1H3,(H,16,17,18,19)
InChIKeyBIUNAFRAOZIFQE-UHFFFAOYSA-N
MW301.74 g/mol
LogP3.22
Rot. Bonds4

About N-(4-chlorophenyl)-6-ethoxypteridin-4-amine

N-(4-chlorophenyl)-6-ethoxypteridin-4-amine (PubChem CID 70678186) has the molecular formula C14H12ClN5O and a molecular weight of 301.74 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-ethoxypteridin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-ethoxypteridin-4-amine
PubChem CID70678186
Molecular FormulaC14H12ClN5O
Molecular Weight301.74 g/mol
Exact Mass301.07
IUPAC NameN-(4-chlorophenyl)-6-ethoxypteridin-4-amine
SMILESCCOc1cnc2ncnc(Nc3ccc(Cl)cc3)c2n1
InChIInChI=1S/C14H12ClN5O/c1-2-21-11-7-16-13-12(20-11)14(18-8-17-13)19-10-5-3-9(15)4-6-10/h3-8H,2H2,1H3,(H,16,17,18,19)
InChIKeyBIUNAFRAOZIFQE-UHFFFAOYSA-N
XLogP3.22
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-ethoxypteridin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-6-ethoxypteridin-4-amine (CID 70678186) is N-(4-chlorophenyl)-6-ethoxypteridin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-6-ethoxypteridin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-6-ethoxypteridin-4-amine is CCOc1cnc2ncnc(Nc3ccc(Cl)cc3)c2n1.
What is the InChIKey of N-(4-chlorophenyl)-6-ethoxypteridin-4-amine?
The InChIKey is BIUNAFRAOZIFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O/c1-2-21-11-7-16-13-12(20-11)14(18-8-17-13)19-10-5-3-9(15)4-6-10/h3-8H,2H2,1H3,(H,16,17,18,19).
What are the key properties of N-(4-chlorophenyl)-6-ethoxypteridin-4-amine?
N-(4-chlorophenyl)-6-ethoxypteridin-4-amine has a molecular weight of 301.74 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-ethoxypteridin-4-amine is sourced from PubChem (CID 70678186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).