4-(4-methoxyphenyl)pyrimidin-2-amine

C11H11N3O — CID 2735362

IUPAC4-(4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2ccnc(N)n2)cc1
InChIInChI=1S/C11H11N3O/c1-15-9-4-2-8(3-5-9)10-6-7-13-11(12)14-10/h2-7H,1H3,(H2,12,13,14)
InChIKeyGHSMJZASRNAUBJ-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.73
Rot. Bonds2

About 4-(4-methoxyphenyl)pyrimidin-2-amine

4-(4-methoxyphenyl)pyrimidin-2-amine (PubChem CID 2735362) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)pyrimidin-2-amine
PubChem CID2735362
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name4-(4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2ccnc(N)n2)cc1
InChIInChI=1S/C11H11N3O/c1-15-9-4-2-8(3-5-9)10-6-7-13-11(12)14-10/h2-7H,1H3,(H2,12,13,14)
InChIKeyGHSMJZASRNAUBJ-UHFFFAOYSA-N
XLogP1.73
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)pyrimidin-2-amine (CID 2735362) is 4-(4-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)pyrimidin-2-amine is COc1ccc(-c2ccnc(N)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is GHSMJZASRNAUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-15-9-4-2-8(3-5-9)10-6-7-13-11(12)14-10/h2-7H,1H3,(H2,12,13,14).
What are the key properties of 4-(4-methoxyphenyl)pyrimidin-2-amine?
4-(4-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 201.23 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 2735362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).