6-(4-methoxyphenyl)-4-propan-2-yloxypteridin-2-amine

C16H17N5O2 — CID 11197698

IUPAC6-(4-methoxyphenyl)-4-propan-2-yloxypteridin-2-amine
SMILESCOc1ccc(-c2cnc3nc(N)nc(OC(C)C)c3n2)cc1
InChIInChI=1S/C16H17N5O2/c1-9(2)23-15-13-14(20-16(17)21-15)18-8-12(19-13)10-4-6-11(22-3)7-5-10/h4-9H,1-3H3,(H2,17,18,20,21)
InChIKeyHLRXXQMCMTVZKE-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.46
Rot. Bonds4

About 6-(4-methoxyphenyl)-4-propan-2-yloxypteridin-2-amine

6-(4-methoxyphenyl)-4-propan-2-yloxypteridin-2-amine (PubChem CID 11197698) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-4-propan-2-yloxypteridin-2-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-4-propan-2-yloxypteridin-2-amine
PubChem CID11197698
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name6-(4-methoxyphenyl)-4-propan-2-yloxypteridin-2-amine
SMILESCOc1ccc(-c2cnc3nc(N)nc(OC(C)C)c3n2)cc1
InChIInChI=1S/C16H17N5O2/c1-9(2)23-15-13-14(20-16(17)21-15)18-8-12(19-13)10-4-6-11(22-3)7-5-10/h4-9H,1-3H3,(H2,17,18,20,21)
InChIKeyHLRXXQMCMTVZKE-UHFFFAOYSA-N
XLogP2.46
TPSA96.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-4-propan-2-yloxypteridin-2-amine?
The IUPAC name of 6-(4-methoxyphenyl)-4-propan-2-yloxypteridin-2-amine (CID 11197698) is 6-(4-methoxyphenyl)-4-propan-2-yloxypteridin-2-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)-4-propan-2-yloxypteridin-2-amine?
The canonical SMILES for 6-(4-methoxyphenyl)-4-propan-2-yloxypteridin-2-amine is COc1ccc(-c2cnc3nc(N)nc(OC(C)C)c3n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-4-propan-2-yloxypteridin-2-amine?
The InChIKey is HLRXXQMCMTVZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-9(2)23-15-13-14(20-16(17)21-15)18-8-12(19-13)10-4-6-11(22-3)7-5-10/h4-9H,1-3H3,(H2,17,18,20,21).
What are the key properties of 6-(4-methoxyphenyl)-4-propan-2-yloxypteridin-2-amine?
6-(4-methoxyphenyl)-4-propan-2-yloxypteridin-2-amine has a molecular weight of 311.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-4-propan-2-yloxypteridin-2-amine is sourced from PubChem (CID 11197698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).