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

C12H13N3O2 — CID 83823920

IUPAC5-methoxy-2-(4-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccc(-c2ncc(OC)c(N)n2)cc1
InChIInChI=1S/C12H13N3O2/c1-16-9-5-3-8(4-6-9)12-14-7-10(17-2)11(13)15-12/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyDFRFCDSBBHASLC-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.74
Rot. Bonds3

About 5-methoxy-2-(4-methoxyphenyl)pyrimidin-4-amine

5-methoxy-2-(4-methoxyphenyl)pyrimidin-4-amine (PubChem CID 83823920) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-methoxy-2-(4-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methoxy-2-(4-methoxyphenyl)pyrimidin-4-amine
PubChem CID83823920
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name5-methoxy-2-(4-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccc(-c2ncc(OC)c(N)n2)cc1
InChIInChI=1S/C12H13N3O2/c1-16-9-5-3-8(4-6-9)12-14-7-10(17-2)11(13)15-12/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyDFRFCDSBBHASLC-UHFFFAOYSA-N
XLogP1.74
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-2-(3-methylphenyl)pyrimidin-4-amine
CID 83821536
5-iodo-2-(4-methoxy-3-methylphenyl)pyrimidin-4-amine
CID 66297619
2-(4-ethoxyphenyl)-5-iodopyrimidin-4-amine
CID 66297425
2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
CID 20652062
3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrazin-2-amine
CID 142945202
2,4,6-tris(4-methoxyphenyl)pyrimidine
CID 11784296
5-bromo-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 107922895
5-iodo-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 66297036
5-[4-(4-methoxyphenyl)phenyl]pyrazin-2-amine
CID 25140980
5-(chloromethyl)-2-(4-methoxyphenyl)pyrimidine
CID 62756442
5-bromo-2-(4-propoxyphenyl)pyrimidin-4-amine
CID 66296050
N-ethyl-5-iodo-2-(4-methoxyphenyl)pyrimidin-4-amine
CID 66302094

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(4-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 5-methoxy-2-(4-methoxyphenyl)pyrimidin-4-amine (CID 83823920) is 5-methoxy-2-(4-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-methoxy-2-(4-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-methoxy-2-(4-methoxyphenyl)pyrimidin-4-amine is COc1ccc(-c2ncc(OC)c(N)n2)cc1.
What is the InChIKey of 5-methoxy-2-(4-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is DFRFCDSBBHASLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-16-9-5-3-8(4-6-9)12-14-7-10(17-2)11(13)15-12/h3-7H,1-2H3,(H2,13,14,15).
What are the key properties of 5-methoxy-2-(4-methoxyphenyl)pyrimidin-4-amine?
5-methoxy-2-(4-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 231.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(4-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 83823920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).