6-(4-tert-butylphenyl)-4-ethoxypteridin-2-amine

C18H21N5O — CID 68774162

IUPAC6-(4-tert-butylphenyl)-4-ethoxypteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(-c3ccc(C(C)(C)C)cc3)nc12
InChIInChI=1S/C18H21N5O/c1-5-24-16-14-15(22-17(19)23-16)20-10-13(21-14)11-6-8-12(9-7-11)18(2,3)4/h6-10H,5H2,1-4H3,(H2,19,20,22,23)
InChIKeyPNSWPPOQCWFLPN-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.37
Rot. Bonds3

About 6-(4-tert-butylphenyl)-4-ethoxypteridin-2-amine

6-(4-tert-butylphenyl)-4-ethoxypteridin-2-amine (PubChem CID 68774162) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-4-ethoxypteridin-2-amine.

Molecular Properties

Compound Name6-(4-tert-butylphenyl)-4-ethoxypteridin-2-amine
PubChem CID68774162
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name6-(4-tert-butylphenyl)-4-ethoxypteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(-c3ccc(C(C)(C)C)cc3)nc12
InChIInChI=1S/C18H21N5O/c1-5-24-16-14-15(22-17(19)23-16)20-10-13(21-14)11-6-8-12(9-7-11)18(2,3)4/h6-10H,5H2,1-4H3,(H2,19,20,22,23)
InChIKeyPNSWPPOQCWFLPN-UHFFFAOYSA-N
XLogP3.37
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
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-(4-tert-butylphenyl)-4-ethoxypteridin-2-amine?
The IUPAC name of 6-(4-tert-butylphenyl)-4-ethoxypteridin-2-amine (CID 68774162) is 6-(4-tert-butylphenyl)-4-ethoxypteridin-2-amine.
What is the SMILES notation for 6-(4-tert-butylphenyl)-4-ethoxypteridin-2-amine?
The canonical SMILES for 6-(4-tert-butylphenyl)-4-ethoxypteridin-2-amine is CCOc1nc(N)nc2ncc(-c3ccc(C(C)(C)C)cc3)nc12.
What is the InChIKey of 6-(4-tert-butylphenyl)-4-ethoxypteridin-2-amine?
The InChIKey is PNSWPPOQCWFLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-5-24-16-14-15(22-17(19)23-16)20-10-13(21-14)11-6-8-12(9-7-11)18(2,3)4/h6-10H,5H2,1-4H3,(H2,19,20,22,23).
What are the key properties of 6-(4-tert-butylphenyl)-4-ethoxypteridin-2-amine?
6-(4-tert-butylphenyl)-4-ethoxypteridin-2-amine has a molecular weight of 323.40 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-(4-tert-butylphenyl)-4-ethoxypteridin-2-amine is sourced from PubChem (CID 68774162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).