3-[4-amino-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-2-yl]phenol

C18H17N3O4 — CID 69287814

IUPAC3-[4-amino-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-2-yl]phenol
SMILESCOc1ccccc1Oc1c(N)nc(-c2cccc(O)c2)nc1OC
InChIInChI=1S/C18H17N3O4/c1-23-13-8-3-4-9-14(13)25-15-16(19)20-17(21-18(15)24-2)11-6-5-7-12(22)10-11/h3-10,22H,1-2H3,(H2,19,20,21)
InChIKeyQXKABEVZLVYWPD-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.24
Rot. Bonds5

About 3-[4-amino-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-2-yl]phenol

3-[4-amino-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-2-yl]phenol (PubChem CID 69287814) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 3-[4-amino-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[4-amino-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-2-yl]phenol
PubChem CID69287814
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name3-[4-amino-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-2-yl]phenol
SMILESCOc1ccccc1Oc1c(N)nc(-c2cccc(O)c2)nc1OC
InChIInChI=1S/C18H17N3O4/c1-23-13-8-3-4-9-14(13)25-15-16(19)20-17(21-18(15)24-2)11-6-5-7-12(22)10-11/h3-10,22H,1-2H3,(H2,19,20,21)
InChIKeyQXKABEVZLVYWPD-UHFFFAOYSA-N
XLogP3.24
TPSA99.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-2-yl]phenol?
The IUPAC name of 3-[4-amino-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-2-yl]phenol (CID 69287814) is 3-[4-amino-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[4-amino-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[4-amino-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-2-yl]phenol is COc1ccccc1Oc1c(N)nc(-c2cccc(O)c2)nc1OC.
What is the InChIKey of 3-[4-amino-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-2-yl]phenol?
The InChIKey is QXKABEVZLVYWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-23-13-8-3-4-9-14(13)25-15-16(19)20-17(21-18(15)24-2)11-6-5-7-12(22)10-11/h3-10,22H,1-2H3,(H2,19,20,21).
What are the key properties of 3-[4-amino-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-2-yl]phenol?
3-[4-amino-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-2-yl]phenol has a molecular weight of 339.35 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-2-yl]phenol is sourced from PubChem (CID 69287814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).