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

4-(2,5-Dimethylphenoxy)-6-fluoropyrimidin-2-amine
CID 695400
4-Chloro-6-(3-methoxyphenoxy)pyrimidin-2-amine
CID 748222
Carbamic acid, N-(4,6-dimethoxy-2-pyrimidinyl)-, phenyl ester
CID 10945667
4-N-methyl-6-[(1S)-1-phenylethoxy]pyrimidine-2,4-diamine
CID 155548365
4-((4,6-Dimethoxy-2-pyrimidinyl)oxy)-2-methylbenzenamine
CID 3429077
6-(Benzyloxy)pyrimidine-2,4-diamine
CID 10130617
[2-Methoxy-6-(2-methoxy-benzyloxy)-pyrimidin-4-yl]-[2-(4-methoxy-phenyl)-ethyl]-amine
CID 53323153
4-N-methyl-6-phenylmethoxypyrimidine-2,4-diamine
CID 80858380
4-N-methyl-6-phenoxypyrimidine-2,4-diamine
CID 80869080
4-Methoxy-6-phenoxypyrimidin-2-amine
CID 684938
2-Amino-4-(p-ethylphenoxy)-6-chloropyrimidine
CID 815741
4-(4-Ethylphenoxy)-6-methylpyrimidin-2-amine
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).