4-methoxy-6-(2-prop-2-enylphenoxy)pyrimidin-2-amine

C14H15N3O2 — CID 686101

IUPAC4-methoxy-6-(2-prop-2-enylphenoxy)pyrimidin-2-amine
SMILESC=CCc1ccccc1Oc1cc(OC)nc(N)n1
InChIInChI=1S/C14H15N3O2/c1-3-6-10-7-4-5-8-11(10)19-13-9-12(18-2)16-14(15)17-13/h3-5,7-9H,1,6H2,2H3,(H2,15,16,17)
InChIKeyWKGKXOUUHVJGFP-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.59
Rot. Bonds5

About 4-methoxy-6-(2-prop-2-enylphenoxy)pyrimidin-2-amine

4-methoxy-6-(2-prop-2-enylphenoxy)pyrimidin-2-amine (PubChem CID 686101) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-methoxy-6-(2-prop-2-enylphenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-(2-prop-2-enylphenoxy)pyrimidin-2-amine
PubChem CID686101
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-methoxy-6-(2-prop-2-enylphenoxy)pyrimidin-2-amine
SMILESC=CCc1ccccc1Oc1cc(OC)nc(N)n1
InChIInChI=1S/C14H15N3O2/c1-3-6-10-7-4-5-8-11(10)19-13-9-12(18-2)16-14(15)17-13/h3-5,7-9H,1,6H2,2H3,(H2,15,16,17)
InChIKeyWKGKXOUUHVJGFP-UHFFFAOYSA-N
XLogP2.59
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 695400
CID 695400
CID 748222
CID 748222
CID 10945667
CID 10945667
CID 155548365
CID 155548365
CID 3429077
CID 3429077
CID 10130617
CID 10130617
CID 53323153
CID 53323153
CID 80858380
CID 80858380
CID 80869080
CID 80869080
CID 684938
CID 684938
CID 815741
CID 815741
CID 830665
CID 830665

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(2-prop-2-enylphenoxy)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-(2-prop-2-enylphenoxy)pyrimidin-2-amine (CID 686101) is 4-methoxy-6-(2-prop-2-enylphenoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-(2-prop-2-enylphenoxy)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-(2-prop-2-enylphenoxy)pyrimidin-2-amine is C=CCc1ccccc1Oc1cc(OC)nc(N)n1.
What is the InChIKey of 4-methoxy-6-(2-prop-2-enylphenoxy)pyrimidin-2-amine?
The InChIKey is WKGKXOUUHVJGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-3-6-10-7-4-5-8-11(10)19-13-9-12(18-2)16-14(15)17-13/h3-5,7-9H,1,6H2,2H3,(H2,15,16,17).
What are the key properties of 4-methoxy-6-(2-prop-2-enylphenoxy)pyrimidin-2-amine?
4-methoxy-6-(2-prop-2-enylphenoxy)pyrimidin-2-amine has a molecular weight of 257.29 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(2-prop-2-enylphenoxy)pyrimidin-2-amine is sourced from PubChem (CID 686101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).